data_2l7q_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 2l7q _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 ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.588 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo . . . . . 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' C ' ' HG1' ' A' ' 47' ' ' THR . 2.5 t80 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.606 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.68 ' HG2' HG21 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.68 HG21 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.707 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.707 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.561 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.405 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD13 HG13 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.471 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 51.9 m-80 . . . . . 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.466 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.848 ' HE1' ' HA ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.551 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.464 ' HE1' HD23 ' A' ' 75' ' ' LEU . 5.9 t80 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.476 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.562 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.427 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.551 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.483 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.409 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.647 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.569 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.79 ' HA ' HG21 ' A' ' 23' ' ' ILE . 28.4 t-20 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HZ3' ' HB2' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.693 0.759 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.498 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.544 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.437 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.408 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.544 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 15.0 mm100 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.433 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.586 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.406 ' O ' HD11 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.67 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.67 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.586 0.708 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.465 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.472 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE1' HD11 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.559 ' OE1' ' HB3' ' A' ' 69' ' ' PRO . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.548 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.788 ' HE1' HE21 ' A' ' 108' ' ' GLN . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.788 HE21 ' HE1' ' A' ' 98' ' ' TYR . 33.4 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.921 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.889 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.513 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.53 ' C ' HD21 ' A' ' 70' ' ' ASN . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.889 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.506 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.5 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.921 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.683 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.683 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.554 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.58 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.488 HE22 ' HG ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HG ' HE22 ' A' ' 107' ' ' GLN . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.436 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.699 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 ' HH ' ' A' ' 50' ' ' TYR . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD22 ' A' ' 48' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 75' ' ' LEU . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.52 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.51 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.52 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.564 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.647 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 3.9 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.492 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' H ' ' CG ' ' A' ' 21' ' ' ASP . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.533 HG12 HG12 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.639 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 3.7 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.522 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD13 HD21 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.9 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.9 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.522 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' LEU . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.84 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HG2' HD11 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.853 HD11 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.611 ' H ' ' NE2' ' A' ' 108' ' ' GLN . 0.6 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.84 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.463 ' C ' HD21 ' A' ' 114' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 53' ' ' PRO . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD23 HD11 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' HG23 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.457 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.445 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD11 HD23 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.43 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.457 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.457 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.816 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.816 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 . . . . . 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.809 ' HE2' ' HA ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.735 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.157 0.504 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.629 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.614 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.548 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.734 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.629 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.734 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.614 ' ND2' ' HA ' ' A' ' 91' ' ' GLU . 58.2 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.528 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.509 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.454 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.583 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.581 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.91 0.386 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.66 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.655 HE22 HG21 ' A' ' 110' ' ' THR . 0.9 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.655 HG21 HE22 ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.539 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 . . . . . 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.514 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.062 0.458 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HH ' ' A' ' 50' ' ' TYR . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.589 ' HH ' HD23 ' A' ' 48' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.619 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD22 HD11 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.617 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.431 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.617 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.619 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.538 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.538 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.574 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.738 ' HB3' HG22 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.586 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 119.521 -0.275 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.638 ' HE1' ' HB ' ' A' ' 95' ' ' ILE . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.605 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.838 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.838 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.473 ' HB2' HD12 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.548 ' HG ' ' HB3' ' A' ' 93' ' ' GLN . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.406 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.548 ' HB3' ' HG ' ' A' ' 88' ' ' SER . 2.1 pm0 -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.638 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.933 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.933 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.782 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 HG21 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' H ' HG21 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 HG21 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.757 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.782 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo . . . . . 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD22 ' HH ' ' A' ' 50' ' ' TYR . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.659 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 95' ' ' ILE . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.671 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 3.4 t-20 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 72' ' ' ARG . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' H ' ' CG ' ' A' ' 71' ' ' ASP . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.448 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.757 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.671 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 46.3 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.835 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.433 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 14.1 m120 . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.958 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG13 HD13 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.408 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' HB2' HD11 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.531 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.518 ' HE3' HD13 ' A' ' 67' ' ' LEU . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD13 ' HE3' ' A' ' 61' ' ' MET . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD11 HD22 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.413 ' OG ' HG23 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.531 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.49 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.558 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.445 HD21 ' C ' ' A' ' 114' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 HD13 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.73 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 ' HH ' ' A' ' 46' ' ' TYR . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.637 ' HH ' HD11 ' A' ' 35' ' ' ILE . 24.9 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.152 0.501 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.586 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.568 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD12 HD23 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.586 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.49 ' O ' HD11 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.603 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.531 HD13 HG12 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.73 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 . . . . . 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.522 -0.109 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.626 HD12 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.536 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.494 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.494 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.562 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.4 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.296 0.569 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG13 HD13 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.443 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.629 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD23 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.679 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.458 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' HZ ' HD23 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.846 0.355 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.674 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.629 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.53 HD11 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' H ' HD11 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.877 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.692 HD12 ' HH ' ' A' ' 46' ' ' TYR . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.692 ' HH ' HD12 ' A' ' 35' ' ' ILE . 46.9 t80 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.595 HD21 ' HH ' ' A' ' 50' ' ' TYR . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.595 ' HH ' HD21 ' A' ' 48' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' HD13 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 74' ' ' LEU . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.835 ' HZ1' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.402 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.877 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.402 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.481 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.634 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 HG12 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG12 HG12 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.603 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.648 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.603 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD12 HD23 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.54 ' HB2' HD12 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.662 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.507 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.662 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.755 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.755 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.553 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.2 mm100 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.441 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.792 ' HG2' HD11 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.443 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -114.29 77.71 1.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.6 167.12 25.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.039 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -81.99 80.18 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 0.0 111.421 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.91 118.28 14.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.317 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.2 tp -103.63 121.82 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.318 0.58 . . . . 0.0 110.908 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -118.08 129.33 55.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.39 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 8.0 pt20 -160.87 112.77 1.89 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 47.66 91.9 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 11.5 p90 -141.07 63.94 19.38 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.55 0.691 . . . . 0.0 110.146 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 7.7 Cg_exo -72.01 -37.16 5.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.588 2.192 . . . . 0.0 112.081 -175.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -165.4 101.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.839 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.588 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.588 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.528 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo -99.25 179.97 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -66.48 -46.53 76.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.24 40.25 8.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.833 -0.698 . . . . 0.0 113.522 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.3 -30.47 66.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.101 0.477 . . . . 0.0 110.506 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -87.5 117.64 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.664 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -80.35 -33.02 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.0 110.296 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.18 100.93 0.38 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.238 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.4 t -120.0 -13.4 9.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.918 0.389 . . . . 0.0 110.072 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.0 t 75.34 -44.39 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.739 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' C ' ' HG1' ' A' ' 47' ' ' THR . 2.5 t80 63.81 178.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.85 0.46 . . . . 0.0 110.234 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.606 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.68 ' HG2' HG21 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.68 HG21 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.707 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.707 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.405 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.561 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.405 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.615 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.0 160.01 39.67 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.79 -33.31 72.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.53 -35.72 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.29 -5.05 90.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.545 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 64.08 -99.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.983 0.513 . . . . 0.0 111.402 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD13 HG13 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.471 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 51.9 m-80 70.04 -77.38 0.05 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.82 -54.37 2.97 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 121.054 -0.594 . . . . 0.0 113.444 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -52.45 132.42 34.82 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.408 0.623 . . . . 0.0 111.828 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -100.32 15.25 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.194 -168.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.4 96.19 2.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.778 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.471 ' HE2' ' CD ' ' A' ' 91' ' ' GLU . 63.5 m80 -87.75 -19.31 27.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.194 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -126.08 166.14 17.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -116.46 104.26 11.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -60.85 -31.06 70.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.48 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -174.63 137.75 0.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.425 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' N ' HD21 ' A' ' 2' ' ' ASN . 0.9 OUTLIER 62.62 65.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.046 -175.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.34 -30.55 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt 70.92 24.18 4.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.307 173.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.62 114.97 23.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.537 0.684 . . . . 0.0 109.494 172.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -83.22 40.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.516 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 8.6 pt20 -58.26 94.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' TYR . 20.6 mm-40 66.54 -71.31 0.09 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.524 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 36.0 tt0 70.25 -38.78 0.42 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.17 0.988 . . . . 0.0 111.79 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' GLN . 91.8 t80 -110.74 89.09 8.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.624 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 10.3 Cg_endo -92.25 -61.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.26 2.64 . . . . 0.0 111.654 173.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.466 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 -85.43 162.77 18.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.352 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.848 ' HE1' ' HA ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.767 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.79 HG21 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.551 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.562 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo -85.07 -177.38 2.75 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -102.56 19.25 19.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.513 0.673 . . . . 0.0 109.269 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.7 -140.05 21.37 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 60.46 25.15 14.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.636 0.255 . . . . 0.0 111.6 175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -103.13 102.74 12.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.681 0.753 . . . . 0.0 110.406 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.8 mt -78.91 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.57 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.01 122.83 7.63 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.538 HG23 ' HB2' ' A' ' 46' ' ' TYR . 60.5 m -151.97 107.95 3.39 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.674 -0.309 . . . . 0.0 110.835 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.62 -57.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HB2' HG23 ' A' ' 44' ' ' THR . 5.9 t80 58.11 92.37 0.04 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.12 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.476 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.562 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.427 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.551 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.483 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.409 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.647 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.569 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -83.98 157.63 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.519 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 6.5 t30 -73.87 -44.97 53.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.994 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -64.98 -46.73 80.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.22 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.604 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 -97.55 153.84 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.163 0.482 . . . . 0.0 110.079 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.79 ' HA ' HG21 ' A' ' 23' ' ' ILE . 28.4 t-20 163.95 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.767 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 117.47 -1.79 18.38 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.784 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttp 66.01 152.55 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.283 0.563 . . . . 0.0 110.427 -174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.07 74.44 10.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.24 0.543 . . . . 0.0 110.295 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.94 158.36 40.44 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.24 -25.07 60.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.1 p80 32.78 65.18 0.24 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.263 0.977 . . . . 0.0 111.457 -174.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -56.86 -34.63 68.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.875 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -138.88 158.57 43.96 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -64.99 113.6 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.369 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.308 -177.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.19 157.4 35.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 110.947 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -90.53 163.18 14.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.791 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.23 103.7 15.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.262 0.553 . . . . 0.0 110.844 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.69 20.24 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.327 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 tt -75.09 -0.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.519 -175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.6 126.81 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.079 -0.388 . . . . 0.0 110.165 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -135.01 -47.04 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 70.81 138.67 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.807 0.692 . . . . 0.0 110.863 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -160.88 108.19 1.29 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.175 0.512 . . . . 0.0 111.396 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.95 -32.99 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.751 2.3 . . . . 0.0 111.331 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 -155.53 161.95 40.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.932 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HZ3' ' HB2' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo -70.33 133.86 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -94.03 3.63 55.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.844 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.9 174.71 20.41 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.658 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -79.81 -178.16 6.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.623 ' HD1' ' HH ' ' A' ' 46' ' ' TYR . 45.2 m-85 -109.07 147.77 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.857 -175.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.6 pt -119.49 -159.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.04 58.0 2.27 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.228 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 103' ' ' TRP . 0.6 OUTLIER -104.18 157.3 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 122.812 0.445 . . . . 0.0 110.98 -179.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 102' ' ' ASN . 58.9 t -100.4 -43.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.92 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.623 ' HH ' ' HD1' ' A' ' 41' ' ' PHE . 34.9 m-85 69.88 111.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.068 0.855 . . . . 0.0 110.997 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.442 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.498 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.544 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.73 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.437 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.408 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.544 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 15.0 mm100 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.433 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.586 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.406 ' O ' HD11 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.67 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 104' ' ' GLY . 71.7 m-20 -73.1 -21.65 60.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.502 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 6.6 t30 68.61 10.66 8.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.56 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.521 ' HB3' HG23 ' A' ' 44' ' ' THR . 37.3 t-105 -138.74 -43.66 0.48 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.556 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' A' ' 101' ' ' ASP . . . -126.27 -85.56 0.57 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.962 -1.113 . . . . 0.0 114.166 -175.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.54 150.82 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 -168.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.67 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.521 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 116' ' ' LYS . 5.2 p30 -141.72 147.62 37.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.86 -55.6 9.32 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.326 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.634 ' HZ1' ' HB3' ' A' ' 116' ' ' LYS . 6.8 ttpm? 60.7 47.75 7.83 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.821 0.82 . . . . 0.0 109.849 176.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.29 85.08 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.457 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.42 ' CG ' ' H ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -77.68 -92.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.628 177.062 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.42 ' H ' ' CG ' ' A' ' 118' ' ' GLU . 3.1 t-160 61.59 -79.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.912 0.885 . . . . 0.0 112.119 174.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -94.84 9.81 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.745 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -138.79 142.96 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.897 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.438 ' C ' ' H ' ' A' ' 124' ' ' HIS . 31.6 m-70 -133.63 -46.82 0.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 71.07 -30.63 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.85 . . . . 0.0 112.519 173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 122' ' ' HIS . 47.6 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.041 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.817 0.341 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.46 25.44 0.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.212 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -92.76 -49.77 5.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp -77.23 99.83 5.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.08 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 t70 69.09 120.28 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.262 0.976 . . . . 0.0 111.696 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.84 106.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.776 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -109.85 94.56 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.092 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' ' 9' ' ' GLU . 3.6 tp60 -172.75 -174.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.756 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.726 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 32.9 mm-40 -87.98 133.23 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.68 0.276 . . . . 0.0 111.3 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -161.13 109.43 1.26 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.417 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.98 144.05 68.51 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.899 2.399 . . . . 0.0 111.711 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 70.97 91.19 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.945 0.778 . . . . 0.0 110.429 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.465 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.472 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 165.28 32.11 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.2 p -147.38 108.11 4.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.496 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.26 -48.64 0.3 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 71.13 149.74 0.09 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.778 -0.711 . . . . 0.0 112.436 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 64.54 -90.55 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.355 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.0 mt -137.33 131.14 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -119.12 76.04 0.3 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.0 m 56.81 -104.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.627 0.371 . . . . 0.0 110.255 -175.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' H ' ' HB ' ' A' ' 44' ' ' THR . 61.8 t -146.47 92.44 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -61.57 110.33 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE1' HD11 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.559 ' OE1' ' HB3' ' A' ' 69' ' ' PRO . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 HD11 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.633 ' HB2' ' HE3' ' A' ' 116' ' ' LYS . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.548 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.788 ' HE1' HE21 ' A' ' 108' ' ' GLN . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.441 ' OD1' ' HB ' ' A' ' 44' ' ' THR . 37.8 t0 -99.74 124.04 44.6 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -59.55 -30.3 68.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.162 -172.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -114.45 16.2 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.371 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.77 -120.29 2.07 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.604 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -104.89 142.65 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.788 HE21 ' HE1' ' A' ' 98' ' ' TYR . 33.4 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 62.44 42.3 9.04 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.12 107.82 0.73 Allowed Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.791 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.633 ' HE3' ' HB2' ' A' ' 92' ' ' ALA . 93.6 mttt -78.2 117.17 19.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 98.8 mt 69.73 13.38 8.12 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.844 0.715 . . . . 0.0 110.65 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 120' ' ' HIS . 72.8 mm-40 -102.68 33.24 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.825 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -83.82 31.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 118' ' ' GLU . 41.1 m80 -67.13 -27.9 67.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.92 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -81.61 105.38 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 164.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -79.37 -25.96 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.702 -170.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -102.96 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.317 -0.402 . . . . 0.0 109.978 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.23 89.98 0.08 Allowed 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -170.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -83.14 2.34 35.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.899 -168.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.78 -179.23 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.32 108.09 14.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.43 114.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.433 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -83.1 134.54 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.08 102.81 8.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -175.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.81 17.26 5.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.659 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -121.02 94.48 48.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.656 0.741 . . . . 0.0 111.772 -173.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.42 5.0 6.55 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.817 2.345 . . . . 0.0 111.626 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 -135.59 178.62 6.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.194 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' HD22 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.921 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo -86.78 132.61 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -74.5 -41.52 60.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.011 0.434 . . . . 0.0 110.65 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.79 138.29 2.44 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.876 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -161.2 164.56 30.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' C ' ' H ' ' A' ' 43' ' ' GLY . 98.5 m-85 -71.46 108.96 5.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.028 0.442 . . . . 0.0 110.343 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.2 pt -79.7 25.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.671 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 41' ' ' PHE . . . -74.47 -20.08 79.68 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.217 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -97.63 174.1 6.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.77 137.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.43 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -113.88 122.9 48.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.889 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.53 ' C ' HD21 ' A' ' 70' ' ' ASN . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.889 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.506 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.5 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.921 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.683 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.683 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.554 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.58 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.479 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -85.62 149.64 25.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -50.97 -39.49 55.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.456 0.473 . . . . 0.0 111.439 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -149.36 -15.1 0.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.68 -98.41 0.29 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.672 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -114.31 149.04 36.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.488 HE22 ' HG ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' HG ' HE22 ' A' ' 107' ' ' GLN . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.436 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 76.81 -18.17 0.5 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.82 158.99 13.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.686 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt 55.37 75.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.659 . . . . 0.0 111.289 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 21' ' ' ASP . 85.7 mt -122.46 96.61 5.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.293 -174.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.615 ' HB2' ' O ' ' A' ' 121' ' ' HIS . 40.9 mt-10 -120.85 169.63 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -74.35 89.78 2.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.004 0.43 . . . . 0.0 111.71 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 61.28 22.79 13.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.945 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.615 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 83.9 m-70 -152.98 173.72 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.794 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -154.55 131.62 10.97 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 167.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -126.69 179.41 5.36 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.344 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.723 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -77.65 154.23 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.92 -173.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.99 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 4' ' ' LEU . 3.8 mm? 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.464 0.477 . . . . 0.0 112.001 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.1 -32.49 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.13 0.49 . . . . 0.0 110.434 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -78.95 172.7 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.041 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.8 166.35 11.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HB3' ' CH2' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -105.94 129.91 53.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.597 -175.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -132.45 -22.24 2.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.447 0.642 . . . . 0.0 109.753 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CD2' ' HD2' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -106.4 170.46 5.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 75.4 Cg_exo -27.64 132.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 124.734 3.623 . . . . 0.0 115.126 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -134.08 144.52 48.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.739 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.853 ' HB3' HG13 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.853 HG13 ' HB3' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.699 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.94 126.73 12.17 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -29.54 20.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.573 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -108.9 141.51 15.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.702 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -123.38 118.83 28.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.607 . . . . 0.0 111.113 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -149.73 -161.47 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.653 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -43.24 40.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.125 0.488 . . . . 0.0 109.805 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.05 -127.35 10.96 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.313 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -172.08 167.23 6.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.94 107.5 13.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.939 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 -89.56 125.11 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.404 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 ' HH ' ' A' ' 50' ' ' TYR . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD22 ' A' ' 48' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.488 ' HE3' HD12 ' A' ' 75' ' ' LEU . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.52 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.51 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CH2' ' HB3' ' A' ' 8' ' ' GLN . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.52 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.492 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.564 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -106.99 -176.95 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -64.19 -40.79 96.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 -33.14 3.6 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -168.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -41.39 0.09 OUTLIER Glycine 0 C--O 1.229 -0.189 0 C-N-CA 118.74 -1.695 . . . . 0.0 114.738 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.647 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 -75.27 124.27 26.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 -172.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 3.9 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.492 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -155.82 166.45 33.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.92 39.23 1.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.243 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -138.94 -27.99 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.4 tp -67.12 100.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.17 -63.61 0.32 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.844 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.7 t60 67.19 -89.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.605 0.762 . . . . 0.0 111.655 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 47.62 -111.59 0.4 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -172.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -155.76 101.82 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -93.56 116.98 29.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.227 0.537 . . . . 0.0 110.471 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.93 46.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.042 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.229 -173.643 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' H1 ' ' CD ' ' A' ' 9' ' ' GLU . 1.7 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 60.5 85.63 0.11 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.506 0.67 . . . . 0.0 109.528 -174.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -113.18 74.86 0.88 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.197 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt 73.48 -71.9 0.13 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.792 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -86.88 144.77 26.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 110.402 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.06 -161.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.838 -172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 67.68 93.17 0.08 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.504 0.503 . . . . 0.0 111.05 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 67.68 92.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.15 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 43.9 tt0 -89.7 -29.68 18.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.032 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.45 115.68 55.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.202 -176.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 84.0 Cg_endo -85.12 3.21 7.49 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.678 2.252 . . . . 0.0 111.231 173.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.82 164.91 37.57 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.156 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' H ' ' CG ' ' A' ' 21' ' ' ASP . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.533 HG12 HG12 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -80.7 126.53 5.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.0 t -80.43 -36.14 34.08 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.66 108.36 0.54 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.457 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -104.04 109.03 20.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -100.13 172.67 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.64 133.87 29.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.89 -21.03 43.53 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -81.96 87.87 6.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 p -104.05 -29.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.1 143.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.639 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 3.7 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.522 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.448 HD13 HD21 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.9 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.9 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.522 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' LEU . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.84 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.853 ' HG2' HD11 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -145.99 152.51 39.5 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.52 -23.38 46.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.29 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -104.27 -46.71 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.164 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.31 -111.39 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.384 -173.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -134.42 -163.83 1.42 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 -168.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.853 HD11 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.611 ' H ' ' NE2' ' A' ' 108' ' ' GLN . 0.6 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.84 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.463 ' C ' HD21 ' A' ' 114' ' ' ASN . 0.2 OUTLIER 76.22 -65.9 0.29 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.91 138.6 6.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.096 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.07 83.74 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.532 0.206 . . . . 0.0 110.891 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 88.2 mt 57.46 39.01 28.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -126.64 145.33 50.6 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.3 m80 65.12 32.54 10.15 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.659 0.6 . . . . 0.0 110.977 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.91 100.44 7.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.777 0.799 . . . . 0.0 111.286 -177.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -115.78 -50.88 2.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.196 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.17 -173.74 0.12 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.759 173.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 177.54 11.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.689 173.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.78 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' A' ' 3' ' ' GLU . 66.6 t30 68.69 -177.29 0.21 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.578 0.549 . . . . 0.0 110.474 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CG ' ' A' ' 2' ' ' ASN . 43.9 mt-10 68.01 6.24 5.06 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.192 0.597 . . . . 0.0 111.627 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt -86.93 47.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.184 0.516 . . . . 0.0 110.961 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -84.77 77.86 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pp -136.94 163.21 33.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.752 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.6 OUTLIER -131.05 117.79 19.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 -179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -56.42 3.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -129.37 -37.63 1.62 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.46 -1.245 . . . . 0.0 107.825 167.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 34.6 t80 59.62 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.077 0 CA-C-N 114.24 -1.346 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.14 142.81 34.78 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.123 1.882 . . . . 0.0 111.954 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -89.11 164.78 14.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.21 164.55 17.18 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HA ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -85.27 -39.93 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.456 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.9 57.18 3.92 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.518 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 68.39 -73.14 0.09 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.56 0.744 . . . . 0.0 112.103 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -177.33 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 0.0 110.509 -171.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.5 tt -77.06 120.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.032 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.65 -164.14 18.77 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.4 p -92.27 -88.71 0.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 118.011 0.905 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -133.27 90.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -80.87 101.29 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.485 -174.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 53' ' ' PRO . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.556 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD23 HD11 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' HG23 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.457 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.445 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD11 HD23 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.43 ' HB2' HD12 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.457 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.457 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.553 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.816 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -93.4 151.86 19.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.93 -22.82 63.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.04 -32.55 71.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.685 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.68 17.04 4.37 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.332 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.816 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 -86.94 116.02 24.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 70.27 108.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.34 -38.94 6.14 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 38.7 ttmt 178.42 -27.98 0.0 OUTLIER 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.861 0.464 . . . . 0.0 110.659 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 94.7 mt 77.27 149.43 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.54 ' HG2' ' HB3' ' A' ' 121' ' ' HIS . 9.3 tp10 -94.94 149.02 21.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -71.47 -47.6 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -154.45 119.78 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.403 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.54 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 9.0 p80 -118.06 91.27 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.519 0.676 . . . . 0.0 111.717 -173.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -116.85 25.23 10.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.369 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -123.83 127.21 47.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.273 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.612 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 60.56 84.13 0.13 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.75 146.03 26.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.74 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -91.2 92.95 8.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.361 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.68 72.38 4.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.359 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 pt -112.08 109.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 0.0 111.428 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.41 122.45 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.738 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -54.03 -47.06 71.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.271 -175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -117.33 117.43 29.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -104.17 105.98 51.46 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.044 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.37 -4.15 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.116 2.544 . . . . 0.0 112.571 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -144.55 102.03 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.809 ' HE2' ' HA ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.735 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -94.72 161.14 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -82.12 -27.64 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.57 64.31 3.59 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -72.68 -18.19 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.152 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.85 98.35 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.1 pt -86.51 123.64 39.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.658 0.742 . . . . 0.0 112.212 -170.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.79 56.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 t -155.46 152.72 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.222 -0.489 . . . . 0.0 109.923 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.34 83.94 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -72.87 105.75 4.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.88 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.629 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.594 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.614 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.548 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.734 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.629 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 103' ' ' TRP . 1.6 t70 -118.4 139.98 50.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -78.98 -15.94 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.471 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 89.0 m95 -71.56 -20.33 62.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.923 0.392 . . . . 0.0 110.253 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.34 26.63 1.97 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.005 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -112.94 141.77 46.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.734 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 115' ' ' GLY . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.614 ' ND2' ' HA ' ' A' ' 91' ' ' GLU . 58.2 t30 72.23 -21.54 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 113' ' ' PHE . . . -72.06 121.97 8.71 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.708 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -148.31 142.21 25.79 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.631 -0.335 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.15 155.49 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.046 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -117.64 176.23 5.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.318 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -109.23 12.46 24.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 166.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -68.59 -76.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.93 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -103.36 24.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -115.35 59.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -103.71 -4.48 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.013 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.489 174.033 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.429 HD21 ' H ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -125.91 -0.63 7.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.12 -67.89 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.347 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt 60.76 25.77 15.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.95 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.3 79.51 7.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.99 0.9 . . . . 0.0 110.418 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -85.91 -32.34 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.957 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.19 128.06 35.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.986 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -79.41 -28.14 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -88.5 138.21 31.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.47 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' HE1' ' H ' ' A' ' 39' ' ' GLY . 27.1 t80 -137.01 86.27 20.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -94.04 -158.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.383 2.722 . . . . 0.0 113.015 -176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -88.15 132.26 34.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.528 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.404 ' H ' ' HD3' ' A' ' 116' ' ' LYS . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo -94.13 42.91 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.425 ' HA ' ' HD1' ' A' ' 10' ' ' TYR . 32.4 t 65.48 78.79 0.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.859 -174.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' H ' ' HE1' ' A' ' 10' ' ' TYR . . . -77.17 6.19 44.78 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.891 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -86.39 -10.64 53.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.12 0.486 . . . . 0.0 110.331 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -128.33 137.44 51.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -98.46 103.82 15.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.94 -69.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.175 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 102' ' ' ASN . 93.8 m -143.18 -68.57 0.34 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.588 -0.36 . . . . 0.0 111.866 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.4 -25.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.517 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 63.25 94.71 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.581 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.509 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' O ' ' HA3' ' A' ' 115' ' ' GLY . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.583 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.581 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 -158.29 160.58 37.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 63.9 t30 62.69 -174.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.46 ' H ' ' CG ' ' A' ' 102' ' ' ASN . 5.8 m-90 -94.24 18.57 10.73 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.449 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.78 35.34 0.11 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.733 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 -125.25 112.98 17.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 117.555 0.678 . . . . 0.0 110.524 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.66 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.655 HE22 HG21 ' A' ' 110' ' ' THR . 0.9 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.655 HG21 HE22 ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.539 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 -111.34 -165.6 1.0 Allowed 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 90' ' ' LYS . . . -128.23 -152.99 7.95 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.577 178.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 25' ' ' GLY . 14.1 pttp -97.3 144.65 26.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.028 0.442 . . . . 0.0 110.467 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.47 136.46 42.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.947 -168.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.22 98.6 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.811 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.68 115.93 7.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.395 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -93.56 -173.68 3.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -76.67 165.67 24.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.244 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.99 111.54 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.203 0.525 . . . . 0.0 111.948 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 32.36 0.21 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 169.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.845 -177.062 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.42 82.08 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.561 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.64 116.49 25.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.279 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 8' ' ' GLN . 92.9 mt 72.87 150.89 0.11 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.92 0.762 . . . . 0.0 111.783 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -96.73 -57.45 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.583 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.5 10.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 66.03 21.85 11.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.669 0.747 . . . . 0.0 108.992 -174.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HG3' HD12 ' A' ' 4' ' ' LEU . 25.5 mt-30 68.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.439 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -117.25 95.35 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.911 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.561 ' HD1' ' HD2' ' A' ' 11' ' ' PRO . 1.6 m-85 -148.75 167.02 13.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.059 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.561 ' HD2' ' HD1' ' A' ' 10' ' ' TYR . 51.1 Cg_exo -56.46 -26.6 64.2 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.861 175.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 -77.26 141.67 39.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.514 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HG3' ' HE3' ' A' ' 116' ' ' LYS . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.578 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -85.64 126.2 2.98 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -154.03 107.8 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.219 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.9 -155.78 26.61 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.624 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.436 HD22 HD13 ' A' ' 42' ' ' ILE . 48.2 t30 -65.13 137.77 57.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.669 0.388 . . . . 0.0 110.459 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.753 ' HA ' ' HB3' ' A' ' 103' ' ' TRP . 42.3 p90 -111.0 26.4 10.75 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 HD13 HD22 ' A' ' 40' ' ' ASN . 63.9 mt -76.94 90.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.822 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.69 75.8 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.032 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -101.6 -103.45 0.26 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.576 -0.367 . . . . 0.0 111.985 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 47' ' ' THR . 79.2 t 69.21 -55.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.556 0.742 . . . . 0.0 111.606 -174.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.415 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 66.33 77.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.252 0.621 . . . . 0.0 110.845 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.487 HG22 HG12 ' A' ' 45' ' ' VAL . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HH ' ' A' ' 50' ' ' TYR . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.589 ' HH ' HD23 ' A' ' 48' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.619 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD22 HD11 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.617 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.431 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.617 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.619 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.573 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.538 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 171.06 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.8 t30 53.98 11.78 0.38 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.031 0.932 . . . . 0.0 111.439 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.753 ' HB3' ' HA ' ' A' ' 41' ' ' PHE . 28.3 m0 56.09 26.68 10.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.119 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.61 -40.75 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.417 -1.373 . . . . 0.0 114.836 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.54 -178.88 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.011 0.905 . . . . 0.0 112.958 -171.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.538 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -157.02 158.31 36.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.82 94.04 0.82 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HE3' ' HG3' ' A' ' 22' ' ' GLU . 36.5 ttmt -67.51 160.78 26.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -175.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 117' ' ' LEU . 6.7 mp -76.62 -8.14 56.65 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.289 -177.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.22 146.34 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.282 0.563 . . . . 0.0 110.565 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -93.7 123.77 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.939 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -66.55 135.53 54.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -57.85 -54.2 49.61 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.094 0.246 . . . . 0.0 110.536 -173.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -168.3 110.77 0.58 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.343 0.592 . . . . 0.0 111.078 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -84.75 44.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.257 -172.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.23 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -81.11 9.28 6.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.222 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.95 -34.83 78.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.621 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -95.04 -86.96 0.28 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.38 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.29 -49.81 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.115 0.966 . . . . 0.0 112.696 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.32 115.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.336 0.588 . . . . 0.0 110.123 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.51 8.99 12.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.258 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.27 -66.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 109.353 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -95.83 84.47 3.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.195 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' HD1' ' HB3' ' A' ' 38' ' ' SER . 37.8 t80 -153.19 98.36 2.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.691 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.11 -173.71 0.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.789 2.326 . . . . 0.0 111.994 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -66.91 115.68 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.574 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.738 ' HB3' HG22 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.586 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -90.46 134.76 2.02 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.767 ' HB3' ' HD1' ' A' ' 10' ' ' TYR . 4.2 p -85.64 11.82 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.98 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.44 153.18 17.58 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.688 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -130.42 115.6 17.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.635 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -118.97 -92.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -139.18 -66.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 109.995 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.51 64.13 0.31 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.8 m -76.76 115.44 16.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 p -156.1 -32.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.779 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 52.09 -107.63 0.34 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.667 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' HE1' ' HB ' ' A' ' 95' ' ' ILE . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.605 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.838 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.838 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.473 ' HB2' HD12 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.548 ' HG ' ' HB3' ' A' ' 93' ' ' GLN . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.548 ' HB3' ' HG ' ' A' ' 88' ' ' SER . 2.1 pm0 -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.638 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.933 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 -122.44 178.01 5.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.68 161.28 28.56 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.207 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.6 m95 72.43 -66.38 0.31 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.67 67.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.696 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.933 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 -122.36 127.52 49.86 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.683 -0.304 . . . . 0.0 110.512 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.23 163.93 32.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -145.47 -120.16 1.31 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 90' ' ' LYS . 35.5 ttpt 56.73 82.47 0.11 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.88 0.472 . . . . 0.0 111.439 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.56 31.15 20.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.565 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.71 121.01 8.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.257 0.551 . . . . 0.0 110.078 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -81.82 111.15 17.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.25 -172.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -84.71 135.64 34.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.027 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -121.26 -81.87 0.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.31 0.576 . . . . 0.0 109.567 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -165.49 112.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.537 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -61.4 131.35 49.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.252 1.232 0 O-C-N 124.355 1.034 . . . . 0.0 109.384 -168.206 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.637 0.256 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 63.18 88.56 0.1 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.593 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.05 60.98 3.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 109.92 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.7 mt 57.67 74.8 0.41 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.779 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.03 -13.6 28.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.158 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 pt -87.37 127.3 40.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.783 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -107.15 140.33 40.16 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -82.47 75.24 9.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.303 0.573 . . . . 0.0 110.339 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.89 91.23 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.567 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 35.3 m-85 -90.49 -36.49 0.39 Allowed Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 10' ' ' TYR . 28.5 Cg_endo -62.72 81.74 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.753 1.636 . . . . 0.0 114.267 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -103.03 119.57 39.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 167.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.782 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 HG21 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' H ' HG21 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 HD12 HG21 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.757 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.782 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo -90.32 20.37 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.9 m 71.39 -56.23 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.366 0.666 . . . . 0.0 110.95 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.84 103.53 0.26 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.29 107.42 4.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.026 0.441 . . . . 0.0 111.182 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -91.37 175.88 6.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.165 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.4 mt -82.5 94.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.354 0.597 . . . . 0.0 110.466 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.35 149.96 5.9 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.82 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m 69.05 99.34 0.06 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.312 0.577 . . . . 0.0 110.399 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 13.6 p -104.67 -18.84 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.104 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 54.3 m-85 67.17 168.19 0.24 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD22 ' HH ' ' A' ' 50' ' ' TYR . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.659 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 95' ' ' ILE . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.671 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 3.4 t-20 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 72' ' ' ARG . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' H ' ' CG ' ' A' ' 71' ' ' ASP . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.448 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.757 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.671 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 46.3 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.835 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' HG2' ' HD3' ' A' ' 116' ' ' LYS . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.433 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 -99.58 162.4 13.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.76 -28.28 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.62 0.248 . . . . 0.0 111.047 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 p-90 -125.01 -30.97 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.179 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.9 -5.17 88.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.834 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.433 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 14.1 m120 71.06 -67.85 0.24 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.605 0.762 . . . . 0.0 111.989 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.958 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 65.92 25.43 11.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.66 123.91 34.35 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.428 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.588 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 7.6 ptmm? -129.98 87.58 2.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.175 0.512 . . . . 0.0 110.794 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.4 tp -79.88 99.42 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -91.53 165.91 13.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.287 -173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -121.02 88.49 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.317 0.58 . . . . 0.0 110.295 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -129.45 169.13 15.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -71.44 101.12 2.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -129.79 162.73 27.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.976 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -83.58 -73.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.056 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 m120 63.25 85.23 0.13 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.786 0.679 . . . . 0.0 110.465 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -99.84 95.96 7.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.89 -60.07 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -169.84 -173.92 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.345 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 6' ' ' ILE . 11.4 tp -85.88 12.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.784 0.802 . . . . 0.0 109.595 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.73 -12.25 59.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.214 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -70.77 113.62 8.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.941 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.8 ' HG2' ' H ' ' A' ' 10' ' ' TYR . 15.1 tt0 -84.91 -159.54 0.43 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.8 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 21.4 t80 60.66 68.28 1.35 Allowed Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.144 0.578 . . . . 0.0 110.055 -175.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' SER . 3.8 Cg_exo -75.08 -68.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.9 2.4 . . . . 0.0 112.102 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -95.99 145.68 25.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG13 HD13 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.586 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo -82.06 123.89 4.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.486 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 31.3 t -103.52 105.35 15.58 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.55 71.84 0.67 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -171.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -80.23 88.77 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.46 . . . . 0.0 112.087 -171.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' HB2' HG22 ' A' ' 44' ' ' THR . 62.8 m-85 -83.27 101.77 11.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.2 tt -69.81 132.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 23.52 39.15 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.013 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -65.99 -33.44 75.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 0.0 111.299 178.533 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t 65.62 88.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.693 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.408 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 -97.78 172.76 7.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.035 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' HB2' HD11 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.531 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD22 HD11 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.518 ' HE3' HD13 ' A' ' 67' ' ' LEU . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD13 ' HE3' ' A' ' 61' ' ' MET . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD11 HD22 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.413 ' OG ' HG23 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.531 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.49 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 102' ' ' ASN . 6.0 p-10 -114.01 -104.37 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.466 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 44.7 t30 -68.26 117.55 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -37.66 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.296 0.998 . . . . 0.0 112.15 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.93 -32.66 2.85 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.215 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 102' ' ' ASN . 71.7 m-20 -88.77 121.05 30.74 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD13 HG13 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.445 HD21 ' C ' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -170.74 151.87 3.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.51 59.18 0.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.92 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.87 18.01 22.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 117' ' ' LEU . 21.6 mt -102.34 -46.16 4.88 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.474 174.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.24 91.13 6.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.295 0.569 . . . . 0.0 111.756 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -74.29 109.61 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.519 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -54.25 103.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.01 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -79.63 54.52 1.8 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.296 0.569 . . . . 0.0 111.832 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -172.7 128.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.71 111.81 9.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.693 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.79 135.15 47.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.141 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.605 ' HG2' HD11 ' A' ' 4' ' ' LEU . 1.1 pm0 -77.07 -13.9 59.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.871 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.605 HD11 ' HG2' ' A' ' 3' ' ' GLU . 6.6 mp -87.3 98.23 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.81 151.81 24.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.4 138.09 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.59 151.94 23.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.029 0.442 . . . . 0.0 111.298 -172.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.64 -173.35 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.896 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.76 148.04 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.294 0.569 . . . . 0.0 111.538 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -128.41 82.69 68.05 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.93 -63.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.142 2.561 . . . . 0.0 112.437 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -152.53 158.41 42.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 HD13 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.73 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 ' HH ' ' A' ' 46' ' ' TYR . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -91.22 103.79 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -96.74 2.36 51.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.063 0.459 . . . . 0.0 110.653 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' ASN . . . -109.7 125.81 7.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' GLY . 47.0 t30 72.44 153.61 0.13 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.997 0.519 . . . . 0.0 110.711 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -65.34 156.74 31.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.058 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 pt -76.02 44.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.357 0.598 . . . . 0.0 112.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.35 8.39 69.32 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.535 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.7 p -84.04 141.79 30.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.873 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 102' ' ' ASN . 61.1 t -87.77 111.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.405 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.637 ' HH ' HD11 ' A' ' 35' ' ' ILE . 24.9 t80 -81.03 112.85 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD23 HD12 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.713 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.568 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD12 HD23 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.586 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.49 ' O ' HD11 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 -91.39 163.28 14.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 9.1 t30 -62.39 -33.54 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 177.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -97.25 -161.97 0.92 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.158 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.88 72.92 2.37 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.31 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.603 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 -149.27 131.8 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.531 HD13 HG12 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.73 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 73.07 101.48 0.07 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -126.22 40.4 1.82 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.109 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -90.13 98.12 11.59 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.29 -66.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.33 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 64.67 -173.56 0.17 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.724 0.64 . . . . 0.0 111.421 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -102.71 118.91 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -59.04 109.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.488 0.493 . . . . 0.0 111.06 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -100.18 85.43 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -144.72 16.76 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -149.27 151.35 34.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.408 178.407 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.372 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -61.81 137.03 58.21 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.014 0.435 . . . . 0.0 111.76 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -77.66 78.84 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.189 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.03 -71.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.955 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.98 14.24 1.32 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.16 0.505 . . . . 0.0 109.83 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 pt -73.34 94.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.757 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -85.15 -50.54 7.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.102 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.57 100.79 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 171.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.54 100.34 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.679 -171.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' HH ' ' HA ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -152.69 100.53 2.74 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -84.52 51.78 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.939 2.426 . . . . 0.0 112.951 -176.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -81.45 137.19 35.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.438 ' HB3' HD12 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.626 HD12 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.626 ' HB2' HD12 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 HD11 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.536 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.494 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -87.13 118.15 1.37 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -69.99 -32.28 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 0.0 110.392 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.73 102.27 0.21 Allowed Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.277 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.639 ' HA ' ' HH ' ' A' ' 10' ' ' TYR . 3.9 t-20 -100.29 96.82 7.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 110.323 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -101.36 104.93 15.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.005 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.9 mt 69.87 95.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 124.067 0.855 . . . . 0.0 110.384 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 175.6 26.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.645 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 t -151.27 178.76 8.92 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 74' ' ' LEU . 21.7 t -80.96 109.39 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.452 ' HE1' ' HE1' ' A' ' 103' ' ' TRP . 50.6 m-85 -83.18 149.81 26.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.958 -172.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HB3' HG23 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.494 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.562 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.4 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -101.26 98.3 8.71 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -55.36 -24.84 31.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.928 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.452 ' HE1' ' HE1' ' A' ' 46' ' ' TYR . 7.2 p-90 -105.75 0.67 26.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.26 -178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.46 -92.04 0.76 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -159.37 -160.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 63.25 26.27 15.09 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 46.89 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.666 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 49.39 59.86 4.18 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.679 HD11 ' H ' ' A' ' 119' ' ' HIS . 3.2 pp -93.72 10.62 32.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.391 0.615 . . . . 0.0 110.633 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 70.93 -6.17 1.34 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.691 -1.14 . . . . 0.0 113.095 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.679 ' H ' HD11 ' A' ' 117' ' ' LEU . 10.1 p-80 30.33 61.79 0.19 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 174.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -84.62 96.19 9.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.748 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -164.92 15.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.045 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -87.79 128.02 35.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 119.814 -0.755 . . . . 0.0 112.075 -172.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -153.02 -36.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.555 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.129 173.001 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.342 0.115 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 3' ' ' GLU . 3.5 t-20 72.54 125.78 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.739 0.816 . . . . 0.0 110.999 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 43.9 mm-40 69.25 -177.07 0.21 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.607 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -82.86 71.25 9.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.497 0.665 . . . . 0.0 109.673 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.87 40.56 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.217 -176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 pt -69.94 85.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.647 0.737 . . . . 0.0 110.386 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -84.57 121.9 28.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.377 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -164.75 145.54 7.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.367 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 8.5 tp10 -136.4 35.4 2.73 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.7 m-85 75.76 158.54 0.16 Allowed Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.221 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 40.7 Cg_exo -58.41 163.47 10.41 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.257 2.638 . . . . 0.0 113.547 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -144.21 113.81 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.058 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG13 HD13 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.443 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.629 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD23 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 11' ' ' PRO . 55.7 Cg_endo -71.85 87.61 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -117.53 -69.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.951 -171.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.78 157.67 23.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.463 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 64.39 105.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.02 0.528 . . . . 0.0 111.447 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 53.5 p90 -92.18 140.89 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.92 0.391 . . . . 0.0 111.276 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.35 -74.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.726 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.57 -140.15 17.09 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.201 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.514 HG21 HG22 ' A' ' 45' ' ' VAL . 11.6 m 66.45 -91.97 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.041 0.536 . . . . 0.0 110.982 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.514 HG22 HG21 ' A' ' 44' ' ' THR . 22.0 t -146.8 164.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' N ' HG11 ' A' ' 45' ' ' VAL . 37.2 m-85 -138.25 111.71 8.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 174.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' OE1' ' HG3' ' A' ' 116' ' ' LYS . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.679 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' HZ ' HD23 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 102' ' ' ASN . 8.8 p-10 -67.03 -53.68 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 3.1 t-20 173.15 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.996 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -168.01 12.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.11 -30.73 0.46 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.966 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -132.72 142.47 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.341 0.571 . . . . 0.0 111.213 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.418 HD13 HG13 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.674 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.629 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -150.76 174.0 13.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.13 33.07 3.43 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 58.7 mttp -87.77 21.23 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 111.242 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.44 -29.47 66.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.024 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -8.76 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.549 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 10.4 m80 -65.79 -43.94 87.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.4 m80 66.11 -77.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.65 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -84.0 117.05 23.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.05 0.452 . . . . 0.0 110.724 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.81 147.07 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.099 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -80.19 166.96 20.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.331 0.586 . . . . 0.0 111.966 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.5 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.675 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -124.19 5.85 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.461 0.648 . . . . 0.0 109.539 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.63 178.47 6.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.166 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.39 95.91 3.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.272 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.63 105.5 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.7 mt -119.85 126.75 75.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.941 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -87.32 100.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 60.41 -166.71 0.19 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 65.7 177.47 0.21 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.452 0.47 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 55.76 96.55 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.763 0.665 . . . . 0.0 112.441 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.35 3.43 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.723 2.282 . . . . 0.0 113.155 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 13.5 p90 -93.35 148.75 21.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.53 HD11 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' H ' HD11 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.877 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.692 HD12 ' HH ' ' A' ' 46' ' ' TYR . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 155.95 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 21.3 t -84.75 65.27 9.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.968 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.04 109.3 0.22 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.134 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -97.73 94.82 7.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.26 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.41 -78.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 tt -97.42 151.25 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.395 175.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.23 -148.05 16.35 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.07 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.494 HG21 ' HA ' ' A' ' 102' ' ' ASN . 14.7 t -136.05 -165.74 1.76 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG11 HD12 ' A' ' 74' ' ' LEU . 39.9 t -84.2 120.47 35.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.692 ' HH ' HD12 ' A' ' 35' ' ' ILE . 46.9 t80 -55.12 120.11 6.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.093 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.595 HD21 ' HH ' ' A' ' 50' ' ' TYR . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.634 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' HH ' HD21 ' A' ' 48' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' HD13 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 HG11 ' A' ' 45' ' ' VAL . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.835 ' HZ1' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.402 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.877 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.402 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.481 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.634 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.13 -78.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.494 ' HA ' HG21 ' A' ' 44' ' ' THR . 46.8 m-80 -150.74 96.52 2.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.614 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.46 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 5.3 m-90 70.49 -59.01 0.54 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.63 0.772 . . . . 0.0 110.939 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.04 -158.31 11.48 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 61.58 69.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 73.62 4.43 4.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.77 -117.84 4.54 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.968 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 69.36 152.22 0.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.323 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.91 44.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 64.1 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.16 0.505 . . . . 0.0 110.095 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -153.76 -177.2 6.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -76.41 77.77 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.817 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -67.93 -73.97 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -149.84 -80.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 166.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -135.53 -37.25 0.76 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 165.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.468 171.395 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.429 0.157 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 m120 53.92 50.18 17.37 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -40.62 -69.31 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.067 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.39 -179.92 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.076 0.465 . . . . 0.0 111.257 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 6' ' ' ILE . 1.8 p-10 -114.9 -82.11 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.606 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 35.8 pt -143.22 -164.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 70.02 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.71 0.631 . . . . 0.0 111.607 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -127.34 -168.52 1.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 173.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 10' ' ' TYR . 15.6 mm-40 -83.01 -95.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' H ' ' HB2' ' A' ' 9' ' ' GLU . 72.7 m-85 42.97 78.53 0.38 Allowed Pre-proline 0 N--CA 1.47 0.57 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -82.17 5.72 6.16 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.432 2.088 . . . . 0.0 112.64 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -161.62 164.91 29.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.989 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.585 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG12 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG12 HG12 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.603 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -82.73 127.12 4.79 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.4 t -88.17 90.19 8.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.73 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 126.63 1.52 Allowed Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.733 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -72.97 -34.49 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.328 0.585 . . . . 0.0 109.942 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.64 138.32 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.015 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -115.25 105.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.249 177.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 45.41 1.31 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.522 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 102' ' ' ASN . 8.1 t -160.22 176.45 11.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' HB ' ' CZ2' ' A' ' 103' ' ' TRP . 59.8 t -117.79 111.47 34.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.926 0.393 . . . . 0.0 110.289 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -83.39 126.63 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.997 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.54 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HG2' HG21 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.648 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.648 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.603 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD12 HD23 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.54 ' HB2' HD12 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.662 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.507 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 -115.2 117.53 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.0 m-20 59.89 17.73 6.81 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.243 0.34 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.419 ' CZ2' ' HB ' ' A' ' 45' ' ' VAL . 74.8 m95 71.61 -42.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.883 0.873 . . . . 0.0 111.702 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.58 -43.36 86.16 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 -85.74 134.51 33.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.662 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 69.46 86.28 0.13 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.75 40.39 3.08 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.35 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' HZ2' ' HB3' ' A' ' 116' ' ' LYS . 8.7 mtpm? 72.39 -13.73 0.61 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.626 0.77 . . . . 0.0 112.673 175.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.0 mt 57.14 -93.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.861 0.465 . . . . 0.0 111.038 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 53.87 77.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.904 0.881 . . . . 0.0 113.263 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.2 137.77 44.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 161.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -61.53 100.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.21 0.529 . . . . 0.0 112.31 -163.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t60 175.9 87.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.969 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -88.73 113.68 24.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -73.71 144.38 45.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.813 179.128 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -76.05 107.86 8.55 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -67.01 -47.35 71.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.75 100.78 7.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.65 167.29 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt 72.5 83.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.446 0.641 . . . . 0.0 109.832 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.35 27.05 7.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.14 -177.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 119.0 33.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -58.53 125.6 24.05 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 38' ' ' SER . 52.3 m-85 -122.19 78.84 43.64 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.33 -41.68 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.54 2.16 . . . . 0.0 110.833 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 -154.48 155.06 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.062 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo -68.41 138.42 42.45 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 22.0 t -91.06 -12.53 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.85 129.12 3.08 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 174.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.3 90.96 6.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.183 0.516 . . . . 0.0 111.083 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -90.48 168.14 12.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.551 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 tp -75.79 116.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.382 0.611 . . . . 0.0 110.972 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.64 166.16 12.63 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.371 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 10.3 t -121.69 33.15 5.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.108 0.48 . . . . 0.0 110.692 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 76' ' ' ASN . 96.7 t 77.84 137.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.714 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -87.3 124.44 33.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.311 -167.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.755 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.547 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.755 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.533 ' HA ' HG12 ' A' ' 45' ' ' VAL . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.553 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.425 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.2 mm100 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.441 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' CB ' ' HA2' ' A' ' 115' ' ' GLY . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.451 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.792 ' HG2' HD11 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ASN . 0.6 OUTLIER -128.43 -65.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' ASP . 8.7 p30 -103.75 156.43 17.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -63.95 103.06 0.54 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.135 -173.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 -23.44 6.46 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.572 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.15 95.49 7.13 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.443 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD2' ' HA3' ' A' ' 115' ' ' GLY . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 58.62 14.91 3.34 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.467 ' HA2' ' CB ' ' A' ' 92' ' ' ALA . . . -73.05 -23.36 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.968 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.06 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.71 33.44 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -75.52 110.12 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -145.85 124.33 12.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 62.12 -91.37 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.701 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.8 m80 63.47 168.1 0.14 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.583 0.706 . . . . 0.0 111.897 -176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -107.27 -28.65 9.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 172.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -136.55 110.11 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.397 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.227 -177.648 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.601 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo . . . . . 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.688 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.5 ' H ' ' HE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.725 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.559 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.725 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' CD ' ' H ' ' A' ' 108' ' ' GLN . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 HG11 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 23.4 m120 . . . . . 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.512 ' HA ' ' CE ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' H ' HG23 ' A' ' 23' ' ' ILE . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HE1' HD23 ' A' ' 75' ' ' LEU . 5.9 t80 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.538 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.515 HH11 ' HA ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.484 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.684 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.538 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.747 ' HA ' HG22 ' A' ' 23' ' ' ILE . 28.4 t-20 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.52 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.693 0.759 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.526 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.408 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.558 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.453 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.434 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.556 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.56 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 85.6 mm-40 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' O ' HD12 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.706 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.706 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.586 0.708 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.473 HG13 HG11 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.569 HE21 ' HB ' ' A' ' 95' ' ' ILE . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 96' ' ' ASP . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 31' ' ' ILE . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.941 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.906 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.906 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 13.4 p-10 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.533 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.494 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.715 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.609 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.588 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB2' HG11 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.837 HG11 ' HB2' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.723 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 67' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.444 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.524 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.616 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.671 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 21.3 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.436 HG22 ' HG3' ' A' ' 15' ' ' GLU . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 13' ' ' THR . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 HG12 HG11 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.662 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 12.8 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 HD23 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.913 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.913 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.907 ' HG2' HD13 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 105' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.907 HD13 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.852 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.431 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 89' ' ' ASP . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.471 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 49' ' ' ARG . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.646 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.646 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB2' HD13 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.513 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.592 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.828 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 . . . . . 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.724 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.157 0.504 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.604 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.552 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.573 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.584 HD13 HD21 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.604 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.552 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.745 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 58.2 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.554 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.599 HG11 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 HG12 HG11 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.488 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.61 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.616 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.61 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.683 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.91 0.386 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' A' ' 110' ' ' THR . 0.8 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.496 HG23 ' OE1' ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 . . . . . 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG11 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' SER . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG12 HG11 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 98.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.062 0.458 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD13 ' A' ' 67' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.622 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.525 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.602 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 HD21 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.622 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.63 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.587 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.542 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.408 ' HA ' HG23 ' A' ' 94' ' ' THR . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.586 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HB3' HG23 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' CB ' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 78' ' ' TRP . 73.1 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 119.521 -0.275 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.572 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 47.5 t-20 -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' HD13 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.534 ' HG2' ' HB2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.639 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.957 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.957 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' H ' HG23 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.984 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.543 HD12 HG22 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 15' ' ' GLU . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.433 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo . . . . . 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 97' ' ' LEU . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.551 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 66.6 t30 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.775 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.683 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 51.2 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.863 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 90.7 m-20 . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.984 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.56 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.409 ' OG ' HG21 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.524 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.501 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 46' ' ' TYR . 6.0 p-10 . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' THR . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG11 HD11 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 17' ' ' MET . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.738 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 75' ' ' LEU . 24.9 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.152 0.501 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.591 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD21 HD13 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' TYR . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD13 HD21 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.438 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.502 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.556 HD11 HG11 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.762 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 . . . . . 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.522 -0.109 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' ILE . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' HD13 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG23 HD12 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.639 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.59 ' HB3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.529 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.63 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.456 ' H ' ' NE2' ' A' ' 93' ' ' GLN . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.566 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.296 0.569 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB3' HG23 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' OE1' ' HD3' ' A' ' 81' ' ' ARG . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.71 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.441 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.71 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.478 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB3' HD11 ' A' ' 106' ' ' LEU . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' HZ ' HD21 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.846 0.355 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 98' ' ' TYR . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.679 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.635 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' MET . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' H ' HD13 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.902 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' HG ' HD12 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 65' ' ' THR . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 64' ' ' GLY . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.651 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.745 ' HZ3' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.404 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.902 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.674 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.59 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.696 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' HG22 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HG2' HG22 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.664 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.664 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG22 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.61 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.493 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.701 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.81 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.81 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 72' ' ' ARG . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.758 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.573 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 87.0 mm-40 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -114.29 77.71 1.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.6 167.12 25.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.039 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -81.99 80.18 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 0.0 111.421 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.91 118.28 14.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.317 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.2 tp -103.63 121.82 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.318 0.58 . . . . 0.0 110.908 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -118.08 129.33 55.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.39 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 8.0 pt20 -160.87 112.77 1.89 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 47.66 91.9 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 11.5 p90 -141.07 63.94 19.38 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.55 0.691 . . . . 0.0 110.146 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 7.7 Cg_exo -72.01 -37.16 5.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.588 2.192 . . . . 0.0 112.081 -175.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -165.4 101.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.839 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.601 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo -99.25 179.97 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -66.48 -46.53 76.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.24 40.25 8.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.833 -0.698 . . . . 0.0 113.522 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.3 -30.47 66.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.101 0.477 . . . . 0.0 110.506 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -87.5 117.64 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.664 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -80.35 -33.02 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.0 110.296 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.18 100.93 0.38 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.238 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 15.4 t -120.0 -13.4 9.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.918 0.389 . . . . 0.0 110.072 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' THR . 93.0 t 75.34 -44.39 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.739 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 t80 63.81 178.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.85 0.46 . . . . 0.0 110.234 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.688 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.5 ' H ' ' HE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.725 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.559 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.725 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.0 160.01 39.67 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.79 -33.31 72.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.53 -35.72 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.29 -5.05 90.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.545 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 64.08 -99.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.983 0.513 . . . . 0.0 111.402 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' CD ' ' H ' ' A' ' 108' ' ' GLN . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 HG11 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 23.4 m120 70.04 -77.38 0.05 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.82 -54.37 2.97 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 121.054 -0.594 . . . . 0.0 113.444 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -52.45 132.42 34.82 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.408 0.623 . . . . 0.0 111.828 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -100.32 15.25 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.194 -168.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.4 96.19 2.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.778 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -87.75 -19.31 27.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.194 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -126.08 166.14 17.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -116.46 104.26 11.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -60.85 -31.06 70.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.48 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -174.63 137.75 0.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.425 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 62.62 65.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.046 -175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.34 -30.55 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt 70.92 24.18 4.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.307 173.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.62 114.97 23.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.537 0.684 . . . . 0.0 109.494 172.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.722 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -83.22 40.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.516 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 8.6 pt20 -58.26 94.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 10' ' ' TYR . 20.6 mm-40 66.54 -71.31 0.09 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.524 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 36.0 tt0 70.25 -38.78 0.42 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.17 0.988 . . . . 0.0 111.79 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 8' ' ' GLN . 91.8 t80 -110.74 89.09 8.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.624 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 10.3 Cg_endo -92.25 -61.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.26 2.64 . . . . 0.0 111.654 173.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 -85.43 162.77 18.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.352 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.512 ' HA ' ' CE ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.806 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' H ' HG23 ' A' ' 23' ' ' ILE . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo -85.07 -177.38 2.75 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -102.56 19.25 19.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.513 0.673 . . . . 0.0 109.269 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.7 -140.05 21.37 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 60.46 25.15 14.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.636 0.255 . . . . 0.0 111.6 175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -103.13 102.74 12.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.681 0.753 . . . . 0.0 110.406 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.8 mt -78.91 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.57 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.01 122.83 7.63 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 46' ' ' TYR . 60.5 m -151.97 107.95 3.39 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.674 -0.309 . . . . 0.0 110.835 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.62 -57.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.555 ' HB2' HG22 ' A' ' 44' ' ' THR . 5.9 t80 58.11 92.37 0.04 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.12 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.538 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.515 HH11 ' HA ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.484 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.684 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.538 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -83.98 157.63 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.525 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 6.5 t30 -73.87 -44.97 53.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.994 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -64.98 -46.73 80.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.22 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.604 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 -97.55 153.84 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.163 0.482 . . . . 0.0 110.079 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.747 ' HA ' HG22 ' A' ' 23' ' ' ILE . 28.4 t-20 163.95 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 117.47 -1.79 18.38 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.784 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttp 66.01 152.55 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.283 0.563 . . . . 0.0 110.427 -174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.07 74.44 10.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.24 0.543 . . . . 0.0 110.295 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.94 158.36 40.44 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.24 -25.07 60.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.1 p80 32.78 65.18 0.24 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.263 0.977 . . . . 0.0 111.457 -174.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -56.86 -34.63 68.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.875 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -138.88 158.57 43.96 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -64.99 113.6 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.369 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.308 -177.729 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.19 157.4 35.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 110.947 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -90.53 163.18 14.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.791 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.23 103.7 15.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.262 0.553 . . . . 0.0 110.844 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.69 20.24 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.327 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 tt -75.09 -0.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.519 -175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -145.6 126.81 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.079 -0.388 . . . . 0.0 110.165 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 12.5 pt20 -135.01 -47.04 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 45.9 mt-10 70.81 138.67 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.807 0.692 . . . . 0.0 110.863 -175.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -160.88 108.19 1.29 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.175 0.512 . . . . 0.0 111.396 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.95 -32.99 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.751 2.3 . . . . 0.0 111.331 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 -155.53 161.95 40.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.932 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.52 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo -70.33 133.86 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -94.03 3.63 55.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.844 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.9 174.71 20.41 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.658 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -79.81 -178.16 6.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -109.07 147.77 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.857 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.6 pt -119.49 -159.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.04 58.0 2.27 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.228 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 103' ' ' TRP . 0.6 OUTLIER -104.18 157.3 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 122.812 0.445 . . . . 0.0 110.98 -179.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 102' ' ' ASN . 58.9 t -100.4 -43.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.92 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 69.88 111.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.068 0.855 . . . . 0.0 110.997 -177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.526 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.408 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.558 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.453 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.434 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.556 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.56 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 85.6 mm-40 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HA ' ' H ' ' A' ' 115' ' ' GLY . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' O ' HD12 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.706 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.549 ' HB2' ' H ' ' A' ' 104' ' ' GLY . 71.7 m-20 -73.1 -21.65 60.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 6.6 t30 68.61 10.66 8.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.56 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.545 ' HB3' HG22 ' A' ' 44' ' ' THR . 37.3 t-105 -138.74 -43.66 0.48 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.556 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.549 ' H ' ' HB2' ' A' ' 101' ' ' ASP . . . -126.27 -85.56 0.57 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.962 -1.113 . . . . 0.0 114.166 -175.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.54 150.82 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 -168.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.706 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.422 ' OD1' ' HB2' ' A' ' 116' ' ' LYS . 5.2 p30 -141.72 147.62 37.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 91' ' ' GLU . . . -69.86 -55.6 9.32 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.326 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 114' ' ' ASN . 6.8 ttpm? 60.7 47.75 7.83 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.821 0.82 . . . . 0.0 109.849 176.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.29 85.08 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.457 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -77.68 -92.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.628 177.062 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.431 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 3.1 t-160 61.59 -79.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.912 0.885 . . . . 0.0 112.119 174.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -94.84 9.81 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.745 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -138.79 142.96 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.897 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' A' ' 124' ' ' HIS . 31.6 m-70 -133.63 -46.82 0.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 71.07 -30.63 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.85 . . . . 0.0 112.519 173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 122' ' ' HIS . 47.6 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.041 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.817 0.341 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.46 25.44 0.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.212 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -92.76 -49.77 5.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp -77.23 99.83 5.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.08 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 t70 69.09 120.28 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.262 0.976 . . . . 0.0 111.696 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.84 106.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.776 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -109.85 94.56 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.092 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.708 ' HG3' ' H ' ' A' ' 9' ' ' GLU . 3.6 tp60 -172.75 -174.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.756 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.708 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 32.9 mm-40 -87.98 133.23 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.68 0.276 . . . . 0.0 111.3 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -161.13 109.43 1.26 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.417 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.98 144.05 68.51 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.899 2.399 . . . . 0.0 111.711 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 70.97 91.19 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.945 0.778 . . . . 0.0 110.429 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.473 HG13 HG11 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 165.28 32.11 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.2 p -147.38 108.11 4.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.496 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.26 -48.64 0.3 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 71.13 149.74 0.09 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.778 -0.711 . . . . 0.0 112.436 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 64.54 -90.55 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.355 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.0 mt -137.33 131.14 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -119.12 76.04 0.3 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.0 m 56.81 -104.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.627 0.371 . . . . 0.0 110.255 -175.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -146.47 92.44 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -61.57 110.33 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.569 HE21 ' HB ' ' A' ' 95' ' ' ILE . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.62 ' HB2' ' HE3' ' A' ' 116' ' ' LYS . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 96' ' ' ASP . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' OD1' ' HB ' ' A' ' 44' ' ' THR . 37.8 t0 -99.74 124.04 44.6 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -59.55 -30.3 68.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.162 -172.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -114.45 16.2 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.371 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.77 -120.29 2.07 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.604 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -104.89 142.65 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 62.44 42.3 9.04 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.12 107.82 0.73 Allowed Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.791 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.62 ' HE3' ' HB2' ' A' ' 92' ' ' ALA . 93.6 mttt -78.2 117.17 19.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 98.8 mt 69.73 13.38 8.12 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.844 0.715 . . . . 0.0 110.65 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -102.68 33.24 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.825 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -83.82 31.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -67.13 -27.9 67.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.92 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -81.61 105.38 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 164.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -79.37 -25.96 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.702 -170.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -102.96 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.317 -0.402 . . . . 0.0 109.978 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 62.23 89.98 0.08 Allowed 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -170.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -83.14 2.34 35.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.899 -168.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.78 -179.23 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.32 108.09 14.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.43 114.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.433 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -83.1 134.54 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.08 102.81 8.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -175.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.81 17.26 5.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.659 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -121.02 94.48 48.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.656 0.741 . . . . 0.0 111.772 -173.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.42 5.0 6.55 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.817 2.345 . . . . 0.0 111.626 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 -135.59 178.62 6.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.194 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 31' ' ' ILE . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.941 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo -86.78 132.61 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -74.5 -41.52 60.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.011 0.434 . . . . 0.0 110.65 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.79 138.29 2.44 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.876 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -161.2 164.56 30.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -71.46 108.96 5.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.028 0.442 . . . . 0.0 110.343 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.2 pt -79.7 25.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.671 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -20.08 79.68 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.217 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -97.63 174.1 6.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.77 137.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.43 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -113.88 122.9 48.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.906 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.906 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 13.4 p-10 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.533 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.494 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.715 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.609 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.588 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -85.62 149.64 25.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -50.97 -39.49 55.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.456 0.473 . . . . 0.0 111.439 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -149.36 -15.1 0.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.68 -98.41 0.29 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.672 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -114.31 149.04 36.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 76.81 -18.17 0.5 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.82 158.99 13.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.686 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt 55.37 75.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.659 . . . . 0.0 111.289 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.471 HD21 ' O ' ' A' ' 21' ' ' ASP . 85.7 mt -122.46 96.61 5.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.293 -174.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 121' ' ' HIS . 40.9 mt-10 -120.85 169.63 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -74.35 89.78 2.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.004 0.43 . . . . 0.0 111.71 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 61.28 22.79 13.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.945 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 83.9 m-70 -152.98 173.72 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.794 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -154.55 131.62 10.97 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 167.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -126.69 179.41 5.36 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.344 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.723 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -77.65 154.23 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.92 -173.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.99 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.8 mm? 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.464 0.477 . . . . 0.0 112.001 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.1 -32.49 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.13 0.49 . . . . 0.0 110.434 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 6' ' ' ILE . 2.2 pp -78.95 172.7 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.041 177.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -112.8 166.35 11.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.437 ' HB3' ' CH2' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -105.94 129.91 53.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.597 -175.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -132.45 -22.24 2.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.447 0.642 . . . . 0.0 109.753 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -106.4 170.46 5.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 75.4 Cg_exo -27.64 132.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 124.734 3.623 . . . . 0.0 115.126 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -134.08 144.52 48.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.739 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB2' HG11 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.837 HG11 ' HB2' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.723 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.94 126.73 12.17 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -29.54 20.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.573 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 10' ' ' TYR . . . -108.9 141.51 15.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.702 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -123.38 118.83 28.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.607 . . . . 0.0 111.113 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -149.73 -161.47 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.653 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -43.24 40.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.125 0.488 . . . . 0.0 109.805 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.05 -127.35 10.96 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.313 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 101' ' ' ASP . 5.2 t -172.08 167.23 6.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -172.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.94 107.5 13.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.939 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 -89.56 125.11 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.404 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 67' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.444 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.437 ' CH2' ' HB3' ' A' ' 8' ' ' GLN . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.524 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.616 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.671 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -106.99 -176.95 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -64.19 -40.79 96.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 -33.14 3.6 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -168.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -41.39 0.09 OUTLIER Glycine 0 C--O 1.229 -0.189 0 C-N-CA 118.74 -1.695 . . . . 0.0 114.738 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 -75.27 124.27 26.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 -172.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 21.3 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -155.82 166.45 33.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.92 39.23 1.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.243 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -138.94 -27.99 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.4 tp -67.12 100.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.17 -63.61 0.32 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.844 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.7 t60 67.19 -89.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.605 0.762 . . . . 0.0 111.655 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 47.62 -111.59 0.4 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -172.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -155.76 101.82 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -93.56 116.98 29.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.227 0.537 . . . . 0.0 110.471 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.93 46.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.042 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.229 -173.643 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 60.5 85.63 0.11 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.506 0.67 . . . . 0.0 109.528 -174.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -113.18 74.86 0.88 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.197 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt 73.48 -71.9 0.13 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.792 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -86.88 144.77 26.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 110.402 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.06 -161.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.838 -172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 67.68 93.17 0.08 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.504 0.503 . . . . 0.0 111.05 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 67.68 92.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.15 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 43.9 tt0 -89.7 -29.68 18.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.032 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.45 115.68 55.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.202 -176.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 84.0 Cg_endo -85.12 3.21 7.49 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.678 2.252 . . . . 0.0 111.231 173.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.82 164.91 37.57 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.156 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 HG22 ' HG3' ' A' ' 15' ' ' GLU . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 13' ' ' THR . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 HG12 HG11 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -80.7 126.53 5.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.0 t -80.43 -36.14 34.08 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.66 108.36 0.54 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.457 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -104.04 109.03 20.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -100.13 172.67 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.64 133.87 29.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.89 -21.03 43.53 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -81.96 87.87 6.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 p -104.05 -29.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.1 143.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.662 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 12.8 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 HD23 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.913 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.913 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.907 ' HG2' HD13 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -145.99 152.51 39.5 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -78.52 -23.38 46.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.29 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -104.27 -46.71 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.164 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.31 -111.39 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.384 -173.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -134.42 -163.83 1.42 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 -168.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.907 HD13 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.852 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 76.22 -65.9 0.29 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.91 138.6 6.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.096 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.07 83.74 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.532 0.206 . . . . 0.0 110.891 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 88.2 mt 57.46 39.01 28.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -126.64 145.33 50.6 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.3 m80 65.12 32.54 10.15 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.659 0.6 . . . . 0.0 110.977 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.91 100.44 7.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.777 0.799 . . . . 0.0 111.286 -177.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -115.78 -50.88 2.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.196 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.17 -173.74 0.12 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.759 173.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 177.54 11.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.689 173.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.78 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.6 t30 68.69 -177.29 0.21 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.578 0.549 . . . . 0.0 110.474 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 68.01 6.24 5.06 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.192 0.597 . . . . 0.0 111.627 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt -86.93 47.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.184 0.516 . . . . 0.0 110.961 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -84.77 77.86 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pp -136.94 163.21 33.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.752 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.05 117.79 19.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -56.42 3.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -129.37 -37.63 1.62 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.46 -1.245 . . . . 0.0 107.825 167.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 34.6 t80 59.62 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.077 0 CA-C-N 114.24 -1.346 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.14 142.81 34.78 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.123 1.882 . . . . 0.0 111.954 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -89.11 164.78 14.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 89' ' ' ASP . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.21 164.55 17.18 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -85.27 -39.93 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.456 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.9 57.18 3.92 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.518 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 68.39 -73.14 0.09 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.56 0.744 . . . . 0.0 112.103 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -177.33 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 0.0 110.509 -171.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.5 tt -77.06 120.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.032 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.65 -164.14 18.77 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.4 p -92.27 -88.71 0.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 118.011 0.905 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -133.27 90.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -80.87 101.29 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.485 -174.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.471 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 49' ' ' ARG . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.646 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB2' HD13 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.513 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.592 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -93.4 151.86 19.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.93 -22.82 63.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.04 -32.55 71.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.685 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.68 17.04 4.37 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.332 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.828 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 -86.94 116.02 24.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 70.27 108.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.34 -38.94 6.14 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 38.7 ttmt 178.42 -27.98 0.0 OUTLIER 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.861 0.464 . . . . 0.0 110.659 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 94.7 mt 77.27 149.43 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' HIS . 9.3 tp10 -94.94 149.02 21.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -71.47 -47.6 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -154.45 119.78 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.403 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.56 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 9.0 p80 -118.06 91.27 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.519 0.676 . . . . 0.0 111.717 -173.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -116.85 25.23 10.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.369 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -123.83 127.21 47.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.273 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.612 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 60.56 84.13 0.13 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.75 146.03 26.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.74 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -91.2 92.95 8.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.361 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.68 72.38 4.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.359 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 pt -112.08 109.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 0.0 111.428 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.41 122.45 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.738 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 24.5 mp0 -54.03 -47.06 71.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.271 -175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -117.33 117.43 29.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HD2' ' HG1' ' A' ' 13' ' ' THR . 19.0 p90 -104.17 105.98 51.46 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.044 177.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.37 -4.15 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.116 2.544 . . . . 0.0 112.571 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -144.55 102.03 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.724 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -94.72 161.14 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -82.12 -27.64 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.57 64.31 3.59 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -72.68 -18.19 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.152 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.85 98.35 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.1 pt -86.51 123.64 39.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.658 0.742 . . . . 0.0 112.212 -170.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.79 56.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 t -155.46 152.72 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.222 -0.489 . . . . 0.0 109.923 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.34 83.94 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -72.87 105.75 4.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.88 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.604 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.552 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.573 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.584 HD13 HD21 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.604 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.552 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 103' ' ' TRP . 1.6 t70 -118.4 139.98 50.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -78.98 -15.94 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.476 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 89.0 m95 -71.56 -20.33 62.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.923 0.392 . . . . 0.0 110.253 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.34 26.63 1.97 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.005 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -112.94 141.77 46.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.745 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 58.2 t30 72.23 -21.54 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.06 121.97 8.71 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.708 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -148.31 142.21 25.79 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.631 -0.335 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.15 155.49 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.046 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -117.64 176.23 5.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.318 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -109.23 12.46 24.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 166.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -68.59 -76.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.93 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -103.36 24.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -115.35 59.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -103.71 -4.48 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.013 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.489 174.033 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -125.91 -0.63 7.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.237 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.3 mp0 -75.12 -67.89 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.347 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt 60.76 25.77 15.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.95 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.3 79.51 7.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.99 0.9 . . . . 0.0 110.418 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -85.91 -32.34 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.957 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.19 128.06 35.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.986 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -79.41 -28.14 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -88.5 138.21 31.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.47 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' HE1' ' H ' ' A' ' 39' ' ' GLY . 27.1 t80 -137.01 86.27 20.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -94.04 -158.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.383 2.722 . . . . 0.0 113.015 -176.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -88.15 132.26 34.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.554 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.599 HG11 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' H ' ' HD3' ' A' ' 116' ' ' LYS . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 HG12 HG11 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.488 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo -94.13 42.91 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HA ' ' HD1' ' A' ' 10' ' ' TYR . 32.4 t 65.48 78.79 0.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.859 -174.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HE1' ' A' ' 10' ' ' TYR . . . -77.17 6.19 44.78 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.891 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -86.39 -10.64 53.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.12 0.486 . . . . 0.0 110.331 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -128.33 137.44 51.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -98.46 103.82 15.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.94 -69.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.175 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 102' ' ' ASN . 93.8 m -143.18 -68.57 0.34 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.588 -0.36 . . . . 0.0 111.866 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.4 -25.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.517 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 63.25 94.71 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.61 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' O ' ' HA3' ' A' ' 115' ' ' GLY . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.616 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.61 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.683 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 -158.29 160.58 37.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.46 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 63.9 t30 62.69 -174.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.433 ' H ' ' CG ' ' A' ' 102' ' ' ASN . 5.8 m-90 -94.24 18.57 10.73 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.449 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.78 35.34 0.11 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.733 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 -125.25 112.98 17.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 117.555 0.678 . . . . 0.0 110.524 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' A' ' 110' ' ' THR . 0.8 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.496 HG23 ' OE1' ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 -111.34 -165.6 1.0 Allowed 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 90' ' ' LYS . . . -128.23 -152.99 7.95 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.577 178.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 25' ' ' GLY . 14.1 pttp -97.3 144.65 26.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.028 0.442 . . . . 0.0 110.467 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.47 136.46 42.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.947 -168.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.22 98.6 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.811 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.68 115.93 7.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.395 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -93.56 -173.68 3.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -76.67 165.67 24.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.244 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.99 111.54 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.203 0.525 . . . . 0.0 111.948 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 32.36 0.21 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 169.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.845 -177.062 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.42 82.08 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.561 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.64 116.49 25.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.279 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' HG3' ' A' ' 8' ' ' GLN . 92.9 mt 72.87 150.89 0.11 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.92 0.762 . . . . 0.0 111.783 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -96.73 -57.45 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.583 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.5 10.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 66.03 21.85 11.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.669 0.747 . . . . 0.0 108.992 -174.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG3' HD13 ' A' ' 4' ' ' LEU . 86.4 mt-30 68.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.439 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -117.25 95.35 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.911 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.585 ' HD1' ' HD2' ' A' ' 11' ' ' PRO . 1.6 m-85 -148.75 167.02 13.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.059 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HD1' ' A' ' 10' ' ' TYR . 51.1 Cg_exo -56.46 -26.6 64.2 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.861 175.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 -77.26 141.67 39.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG11 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG3' ' HE3' ' A' ' 116' ' ' LYS . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' SER . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG12 HG11 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 98.2 Cg_endo -85.64 126.2 2.98 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -154.03 107.8 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.219 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.9 -155.78 26.61 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.624 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.521 HD21 HD12 ' A' ' 42' ' ' ILE . 48.2 t30 -65.13 137.77 57.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.669 0.388 . . . . 0.0 110.459 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' HA ' ' HB3' ' A' ' 103' ' ' TRP . 42.3 p90 -111.0 26.4 10.75 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 40' ' ' ASN . 63.9 mt -76.94 90.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.822 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.69 75.8 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.032 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -101.6 -103.45 0.26 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.576 -0.367 . . . . 0.0 111.985 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 HG23 ' A' ' 47' ' ' THR . 79.2 t 69.21 -55.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.556 0.742 . . . . 0.0 111.606 -174.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 66.33 77.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.252 0.621 . . . . 0.0 110.845 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.503 HG23 HG12 ' A' ' 45' ' ' VAL . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD13 ' A' ' 67' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.622 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.525 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.602 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 HD21 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.622 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.63 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.587 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.542 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 171.06 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.8 t30 53.98 11.78 0.38 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.031 0.932 . . . . 0.0 111.439 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.771 ' HB3' ' HA ' ' A' ' 41' ' ' PHE . 28.3 m0 56.09 26.68 10.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.119 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.61 -40.75 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.417 -1.373 . . . . 0.0 114.836 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.54 -178.88 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.011 0.905 . . . . 0.0 112.958 -171.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.408 ' HA ' HG23 ' A' ' 94' ' ' THR . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -157.02 158.31 36.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.82 94.04 0.82 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.424 ' HE3' ' HG3' ' A' ' 22' ' ' GLU . 36.5 ttmt -67.51 160.78 26.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -175.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.62 -8.14 56.65 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.289 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.22 146.34 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.282 0.563 . . . . 0.0 110.565 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -93.7 123.77 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.939 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -66.55 135.53 54.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -57.85 -54.2 49.61 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.094 0.246 . . . . 0.0 110.536 -173.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -168.3 110.77 0.58 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.343 0.592 . . . . 0.0 111.078 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -84.75 44.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.257 -172.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.23 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -81.11 9.28 6.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.222 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 4.0 mp0 -62.95 -34.83 78.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.621 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -95.04 -86.96 0.28 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.38 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.29 -49.81 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.115 0.966 . . . . 0.0 112.696 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.32 115.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.336 0.588 . . . . 0.0 110.123 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.51 8.99 12.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.258 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.27 -66.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 109.353 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -95.83 84.47 3.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.195 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HD1' ' HB3' ' A' ' 38' ' ' SER . 37.8 t80 -153.19 98.36 2.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.691 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.11 -173.71 0.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.789 2.326 . . . . 0.0 111.994 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -66.91 115.68 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.586 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HB3' HG23 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' CB ' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 78' ' ' TRP . 73.1 Cg_endo -90.46 134.76 2.02 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' ' HD1' ' A' ' 10' ' ' TYR . 4.2 p -85.64 11.82 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.98 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.44 153.18 17.58 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.688 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -130.42 115.6 17.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.635 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -118.97 -92.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -139.18 -66.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 109.995 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.51 64.13 0.31 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.8 m -76.76 115.44 16.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 p -156.1 -32.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.779 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 52.09 -107.63 0.34 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.667 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.572 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 47.5 t-20 -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' HD13 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.534 ' HG2' ' HB2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.639 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.957 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 -122.44 178.01 5.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -68.68 161.28 28.56 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.207 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.6 m95 72.43 -66.38 0.31 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.67 67.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.696 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.957 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 -122.36 127.52 49.86 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.683 -0.304 . . . . 0.0 110.512 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -144.23 163.93 32.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -145.47 -120.16 1.31 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 90' ' ' LYS . 35.5 ttpt 56.73 82.47 0.11 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.88 0.472 . . . . 0.0 111.439 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.56 31.15 20.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.565 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.71 121.01 8.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.257 0.551 . . . . 0.0 110.078 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -81.82 111.15 17.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.25 -172.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -84.71 135.64 34.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.027 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -121.26 -81.87 0.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.31 0.576 . . . . 0.0 109.567 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -165.49 112.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.537 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -61.4 131.35 49.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.252 1.232 0 O-C-N 124.355 1.034 . . . . 0.0 109.384 -168.206 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.637 0.256 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 4.4 m-20 63.18 88.56 0.1 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.593 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.05 60.98 3.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 109.92 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.7 mt 57.67 74.8 0.41 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.779 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' OD2' ' HA ' ' A' ' 2' ' ' ASN . 49.6 m-20 -93.03 -13.6 28.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.158 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 pt -87.37 127.3 40.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.783 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -107.15 140.33 40.16 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -82.47 75.24 9.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.303 0.573 . . . . 0.0 110.339 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.89 91.23 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.567 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 35.3 m-85 -90.49 -36.49 0.39 Allowed Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 10' ' ' TYR . 28.5 Cg_endo -62.72 81.74 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.753 1.636 . . . . 0.0 114.267 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -103.03 119.57 39.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 167.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' H ' HG23 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.984 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD12 HG22 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 15' ' ' GLU . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.433 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo -90.32 20.37 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.9 m 71.39 -56.23 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.366 0.666 . . . . 0.0 110.95 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.84 103.53 0.26 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.29 107.42 4.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.026 0.441 . . . . 0.0 111.182 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -91.37 175.88 6.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.165 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.4 mt -82.5 94.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.354 0.597 . . . . 0.0 110.466 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.35 149.96 5.9 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.82 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m 69.05 99.34 0.06 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.312 0.577 . . . . 0.0 110.399 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 13.6 p -104.67 -18.84 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.104 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 54.3 m-85 67.17 168.19 0.24 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 97' ' ' LEU . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 66.6 t30 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.775 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.683 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 51.2 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.863 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.615 ' HG2' ' HD3' ' A' ' 116' ' ' LYS . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 -99.58 162.4 13.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.76 -28.28 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.62 0.248 . . . . 0.0 111.047 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 p-90 -125.01 -30.97 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.179 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.9 -5.17 88.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.834 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 90.7 m-20 71.06 -67.85 0.24 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.605 0.762 . . . . 0.0 111.989 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.984 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 65.92 25.43 11.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.66 123.91 34.35 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.428 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.615 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 7.6 ptmm? -129.98 87.58 2.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.175 0.512 . . . . 0.0 110.794 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.4 tp -79.88 99.42 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -91.53 165.91 13.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.287 -173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -121.02 88.49 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.317 0.58 . . . . 0.0 110.295 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -129.45 169.13 15.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -71.44 101.12 2.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -129.79 162.73 27.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.976 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -83.58 -73.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.056 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 m120 63.25 85.23 0.13 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.786 0.679 . . . . 0.0 110.465 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -99.84 95.96 7.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.89 -60.07 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -169.84 -173.92 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.345 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . 11.4 tp -85.88 12.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.784 0.802 . . . . 0.0 109.595 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.73 -12.25 59.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.214 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -70.77 113.62 8.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.941 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.821 ' HG2' ' H ' ' A' ' 10' ' ' TYR . 15.1 tt0 -84.91 -159.54 0.43 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.821 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 21.4 t80 60.66 68.28 1.35 Allowed Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.144 0.578 . . . . 0.0 110.055 -175.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' SER . 3.8 Cg_exo -75.08 -68.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.9 2.4 . . . . 0.0 112.102 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -95.99 145.68 25.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.56 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo -82.06 123.89 4.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 31.3 t -103.52 105.35 15.58 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.55 71.84 0.67 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -171.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -80.23 88.77 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.46 . . . . 0.0 112.087 -171.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 44' ' ' THR . 62.8 m-85 -83.27 101.77 11.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.2 tt -69.81 132.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 23.52 39.15 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.013 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -65.99 -33.44 75.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 0.0 111.299 178.533 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t 65.62 88.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.693 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 -97.78 172.76 7.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.035 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.409 ' OG ' HG21 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.524 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.501 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 102' ' ' ASN . 6.0 p-10 -114.01 -104.37 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' HB3' ' ND2' ' A' ' 105' ' ' ASN . 44.7 t30 -68.26 117.55 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -37.66 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.296 0.998 . . . . 0.0 112.15 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.93 -32.66 2.85 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.215 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 102' ' ' ASN . 71.7 m-20 -88.77 121.05 30.74 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' THR . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -170.74 151.87 3.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.51 59.18 0.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.92 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.87 18.01 22.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 117' ' ' LEU . 21.6 mt -102.34 -46.16 4.88 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.474 174.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.24 91.13 6.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.295 0.569 . . . . 0.0 111.756 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -74.29 109.61 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.519 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -54.25 103.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.01 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -79.63 54.52 1.8 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.296 0.569 . . . . 0.0 111.832 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -172.7 128.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.71 111.81 9.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.693 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.79 135.15 47.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.141 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.618 ' HG2' HD12 ' A' ' 4' ' ' LEU . 1.1 pm0 -77.07 -13.9 59.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.871 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 3' ' ' GLU . 6.6 mp -87.3 98.23 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.81 151.81 24.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.1 mp -61.4 138.09 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.59 151.94 23.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.029 0.442 . . . . 0.0 111.298 -172.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -75.64 -173.35 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.896 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.76 148.04 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.294 0.569 . . . . 0.0 111.538 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -128.41 82.69 68.05 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.93 -63.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.142 2.561 . . . . 0.0 112.437 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -152.53 158.41 42.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG11 HD11 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 17' ' ' MET . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.738 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -91.22 103.79 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -96.74 2.36 51.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.063 0.459 . . . . 0.0 110.653 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' ASN . . . -109.7 125.81 7.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' GLY . 47.0 t30 72.44 153.61 0.13 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.997 0.519 . . . . 0.0 110.711 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -65.34 156.74 31.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.058 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 pt -76.02 44.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.357 0.598 . . . . 0.0 112.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.35 8.39 69.32 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.543 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.7 p -84.04 141.79 30.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.873 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 102' ' ' ASN . 61.1 t -87.77 111.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.405 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 75' ' ' LEU . 24.9 t80 -81.03 112.85 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.591 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD21 HD13 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' TYR . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD13 HD21 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.438 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 -91.39 163.28 14.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 9.1 t30 -62.39 -33.54 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 177.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -97.25 -161.97 0.92 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.158 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.88 72.92 2.37 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.31 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 -149.27 131.8 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.556 HD11 HG11 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.762 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 73.07 101.48 0.07 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -126.22 40.4 1.82 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.109 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -90.13 98.12 11.59 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.29 -66.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.33 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 64.67 -173.56 0.17 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.724 0.64 . . . . 0.0 111.421 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -102.71 118.91 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -59.04 109.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.488 0.493 . . . . 0.0 111.06 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -100.18 85.43 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -144.72 16.76 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -149.27 151.35 34.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.408 178.407 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.372 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -61.81 137.03 58.21 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.014 0.435 . . . . 0.0 111.76 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -77.66 78.84 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.189 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.03 -71.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.955 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.98 14.24 1.32 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.16 0.505 . . . . 0.0 109.83 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 pt -73.34 94.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.757 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -85.15 -50.54 7.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.102 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.57 100.79 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 171.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.54 100.34 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.679 -171.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' OH ' ' HA ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -152.69 100.53 2.74 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -84.52 51.78 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.939 2.426 . . . . 0.0 112.951 -176.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -81.45 137.19 35.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' ILE . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' HD13 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG23 HD12 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -87.13 118.15 1.37 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -69.99 -32.28 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 0.0 110.392 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.73 102.27 0.21 Allowed Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.277 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 3.9 t-20 -100.29 96.82 7.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 110.323 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -101.36 104.93 15.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.005 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.9 mt 69.87 95.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 124.067 0.855 . . . . 0.0 110.384 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 175.6 26.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.645 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 t -151.27 178.76 8.92 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 74' ' ' LEU . 21.7 t -80.96 109.39 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' HE1' ' HE1' ' A' ' 103' ' ' TRP . 50.6 m-85 -83.18 149.81 26.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.958 -172.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.639 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' HB3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.529 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.63 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.456 ' H ' ' NE2' ' A' ' 93' ' ' GLN . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.566 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -101.26 98.3 8.71 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -55.36 -24.84 31.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.928 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.475 ' HE1' ' HE1' ' A' ' 46' ' ' TYR . 7.2 p-90 -105.75 0.67 26.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.26 -178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.46 -92.04 0.76 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -159.37 -160.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 63.25 26.27 15.09 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 46.89 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.666 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 49.39 59.86 4.18 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.768 HD12 ' H ' ' A' ' 119' ' ' HIS . 3.2 pp -93.72 10.62 32.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.391 0.615 . . . . 0.0 110.633 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 70.93 -6.17 1.34 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.691 -1.14 . . . . 0.0 113.095 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.768 ' H ' HD12 ' A' ' 117' ' ' LEU . 10.1 p-80 30.33 61.79 0.19 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 174.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -84.62 96.19 9.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.748 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -164.92 15.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.045 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -87.79 128.02 35.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 119.814 -0.755 . . . . 0.0 112.075 -172.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -153.02 -36.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.555 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.129 173.001 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.342 0.115 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' GLU . 66.4 t30 72.54 125.78 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.739 0.816 . . . . 0.0 110.999 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 43.9 mm-40 69.25 -177.07 0.21 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.607 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -82.86 71.25 9.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.497 0.665 . . . . 0.0 109.673 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.87 40.56 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.217 -176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 pt -69.94 85.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.647 0.737 . . . . 0.0 110.386 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -84.57 121.9 28.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.377 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -164.75 145.54 7.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.367 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 8.5 tp10 -136.4 35.4 2.73 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.7 m-85 75.76 158.54 0.16 Allowed Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.221 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 40.7 Cg_exo -58.41 163.47 10.41 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.257 2.638 . . . . 0.0 113.547 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -144.21 113.81 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.058 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB3' HG23 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' OE1' ' HD3' ' A' ' 81' ' ' ARG . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' PRO . 55.7 Cg_endo -71.85 87.61 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -117.53 -69.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.951 -171.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.78 157.67 23.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.463 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.8 t30 64.39 105.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.02 0.528 . . . . 0.0 111.447 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 53.5 p90 -92.18 140.89 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.92 0.391 . . . . 0.0 111.276 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.35 -74.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.726 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.57 -140.15 17.09 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.201 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.536 HG22 HG23 ' A' ' 45' ' ' VAL . 11.6 m 66.45 -91.97 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.041 0.536 . . . . 0.0 110.982 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 44' ' ' THR . 22.0 t -146.8 164.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' N ' HG12 ' A' ' 45' ' ' VAL . 37.2 m-85 -138.25 111.71 8.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 174.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.71 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.441 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' OE1' ' HG3' ' A' ' 116' ' ' LYS . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.71 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.478 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB3' HD11 ' A' ' 106' ' ' LEU . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' HZ ' HD21 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 102' ' ' ASN . 8.8 p-10 -67.03 -53.68 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 64.7 t30 173.15 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.996 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -168.01 12.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.11 -30.73 0.46 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.966 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -132.72 142.47 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.341 0.571 . . . . 0.0 111.213 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 98' ' ' TYR . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.679 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.635 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -150.76 174.0 13.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.13 33.07 3.43 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 58.7 mttp -87.77 21.23 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 111.242 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.44 -29.47 66.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.024 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -8.76 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.549 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 10.4 m80 -65.79 -43.94 87.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.4 m80 66.11 -77.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.65 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -84.0 117.05 23.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.05 0.452 . . . . 0.0 110.724 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.81 147.07 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.099 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -80.19 166.96 20.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.331 0.586 . . . . 0.0 111.966 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.5 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.675 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -124.19 5.85 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.461 0.648 . . . . 0.0 109.539 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.63 178.47 6.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.166 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.39 95.91 3.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.272 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.63 105.5 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.7 mt -119.85 126.75 75.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.941 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -87.32 100.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 60.41 -166.71 0.19 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 65.7 177.47 0.21 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.452 0.47 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 55.76 96.55 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.763 0.665 . . . . 0.0 112.441 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.35 3.43 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.723 2.282 . . . . 0.0 113.155 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 13.5 p90 -93.35 148.75 21.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' MET . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' H ' HD13 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.902 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 155.95 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 21.3 t -84.75 65.27 9.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.968 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.04 109.3 0.22 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.134 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -97.73 94.82 7.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.26 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.41 -78.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 tt -97.42 151.25 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.395 175.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.23 -148.05 16.35 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.07 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 102' ' ' ASN . 14.7 t -136.05 -165.74 1.76 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 74' ' ' LEU . 39.9 t -84.2 120.47 35.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -55.12 120.11 6.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.093 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' HG ' HD12 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 65' ' ' THR . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 64' ' ' GLY . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 45' ' ' VAL . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.651 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.745 ' HZ3' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.404 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.902 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.674 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.13 -78.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.8 m-80 -150.74 96.52 2.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.614 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 5.3 m-90 70.49 -59.01 0.54 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.63 0.772 . . . . 0.0 110.939 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.04 -158.31 11.48 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 61.58 69.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 73.62 4.43 4.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.77 -117.84 4.54 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.968 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 69.36 152.22 0.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.323 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.91 44.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 64.1 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.16 0.505 . . . . 0.0 110.095 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -153.76 -177.2 6.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -76.41 77.77 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.817 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -67.93 -73.97 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -149.84 -80.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 166.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -135.53 -37.25 0.76 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 165.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.468 171.395 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.429 0.157 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 m120 53.92 50.18 17.37 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -40.62 -69.31 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.067 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.39 -179.92 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.076 0.465 . . . . 0.0 111.257 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 6' ' ' ILE . 1.8 p-10 -114.9 -82.11 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.606 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 35.8 pt -143.22 -164.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 70.02 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.71 0.631 . . . . 0.0 111.607 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -127.34 -168.52 1.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 173.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' HB2' ' H ' ' A' ' 10' ' ' TYR . 15.6 mm-40 -83.01 -95.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' H ' ' HB2' ' A' ' 9' ' ' GLU . 72.7 m-85 42.97 78.53 0.38 Allowed Pre-proline 0 N--CA 1.47 0.57 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -82.17 5.72 6.16 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.432 2.088 . . . . 0.0 112.64 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -161.62 164.91 29.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.989 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.59 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -82.73 127.12 4.79 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.4 t -88.17 90.19 8.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.73 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 126.63 1.52 Allowed Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.733 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -72.97 -34.49 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.328 0.585 . . . . 0.0 109.942 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.64 138.32 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.015 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -115.25 105.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.249 177.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 45.41 1.31 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.522 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 102' ' ' ASN . 8.1 t -160.22 176.45 11.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' CZ2' ' A' ' 103' ' ' TRP . 59.8 t -117.79 111.47 34.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.926 0.393 . . . . 0.0 110.289 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -83.39 126.63 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.997 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' HG22 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HG2' HG22 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.664 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.664 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG22 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.61 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.493 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 -115.2 117.53 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.449 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.0 m-20 59.89 17.73 6.81 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.243 0.34 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.428 ' CZ2' ' HB ' ' A' ' 45' ' ' VAL . 74.8 m95 71.61 -42.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.883 0.873 . . . . 0.0 111.702 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.58 -43.36 86.16 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 -85.74 134.51 33.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.701 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 69.46 86.28 0.13 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.75 40.39 3.08 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.35 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 72.39 -13.73 0.61 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.626 0.77 . . . . 0.0 112.673 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.0 mt 57.14 -93.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.861 0.465 . . . . 0.0 111.038 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 53.87 77.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.904 0.881 . . . . 0.0 113.263 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.2 137.77 44.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 161.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -61.53 100.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.21 0.529 . . . . 0.0 112.31 -163.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t60 175.9 87.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.969 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -88.73 113.68 24.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -73.71 144.38 45.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.813 179.128 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -76.05 107.86 8.55 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -67.01 -47.35 71.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.75 100.78 7.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.65 167.29 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt 72.5 83.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.446 0.641 . . . . 0.0 109.832 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.35 27.05 7.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.14 -177.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 119.0 33.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -58.53 125.6 24.05 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' SER . 52.3 m-85 -122.19 78.84 43.64 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.33 -41.68 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.54 2.16 . . . . 0.0 110.833 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 -154.48 155.06 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.062 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.81 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.81 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo -68.41 138.42 42.45 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 22.0 t -91.06 -12.53 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.85 129.12 3.08 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 174.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.3 90.96 6.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.183 0.516 . . . . 0.0 111.083 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -90.48 168.14 12.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.551 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 tp -75.79 116.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.382 0.611 . . . . 0.0 110.972 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.64 166.16 12.63 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.371 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 10.3 t -121.69 33.15 5.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.108 0.48 . . . . 0.0 110.692 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 76' ' ' ASN . 96.7 t 77.84 137.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.714 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -87.3 124.44 33.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.311 -167.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 72' ' ' ARG . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.758 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.553 ' HA ' HG13 ' A' ' 45' ' ' VAL . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.573 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 87.0 mm-40 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' CB ' ' HA2' ' A' ' 115' ' ' GLY . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ASN . 0.6 OUTLIER -128.43 -65.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' ASP . 3.3 p-10 -103.75 156.43 17.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -63.95 103.06 0.54 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.135 -173.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 -23.44 6.46 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.572 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.15 95.49 7.13 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.448 ' OD2' ' HA3' ' A' ' 115' ' ' GLY . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 58.62 14.91 3.34 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 92' ' ' ALA . . . -73.05 -23.36 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.968 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.06 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.71 33.44 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -75.52 110.12 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -145.85 124.33 12.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 62.12 -91.37 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.701 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 63.47 168.1 0.14 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.583 0.706 . . . . 0.0 111.897 -176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -107.27 -28.65 9.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 172.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -136.55 110.11 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.397 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.227 -177.648 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.601 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo . . . . . 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 CA--C 1.533 0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.688 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.5 ' H ' ' HE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.725 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.559 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.725 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' H ' ' CD ' ' A' ' 108' ' ' GLN . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 HG11 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 51.9 m-80 . . . . . 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.512 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' H ' HG23 ' A' ' 23' ' ' ILE . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HE1' HD23 ' A' ' 75' ' ' LEU . 5.9 t80 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.538 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.515 HH11 ' HA ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.484 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.684 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.538 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.747 ' HA ' HG22 ' A' ' 23' ' ' ILE . 28.4 t-20 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.52 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.693 0.759 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.526 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.408 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.558 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.453 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.434 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.556 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.56 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 15.0 mm100 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' O ' HD12 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.706 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.706 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.586 0.708 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.473 HG13 HG11 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.569 HE21 ' HB ' ' A' ' 95' ' ' ILE . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.834 ' HE1' HE21 ' A' ' 108' ' ' GLN . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 t0 . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.834 HE21 ' HE1' ' A' ' 98' ' ' TYR . 33.4 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 31' ' ' ILE . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.941 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.906 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.559 ' C ' HD22 ' A' ' 70' ' ' ASN . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.906 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.533 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.494 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.715 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.609 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.588 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.523 HE22 ' HG ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.523 ' HG ' HE22 ' A' ' 107' ' ' GLN . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB2' HG11 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.837 HG11 ' HB2' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.723 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HD2' HH11 ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 67' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.444 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.524 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.616 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.671 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 3.9 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.436 HG22 ' HG3' ' A' ' 15' ' ' GLU . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 13' ' ' THR . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 HG12 HG11 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.662 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 3.7 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 HD23 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.913 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.913 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.907 ' HG2' HD13 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.907 HD13 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.676 ' NE2' ' H ' ' A' ' 108' ' ' GLN . 0.6 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.852 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.47 HD22 ' C ' ' A' ' 114' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.431 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 89' ' ' ASP . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.485 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.471 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 49' ' ' ARG . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.646 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.646 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB2' HD13 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.513 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.592 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.828 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 . . . . . 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.724 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 121.157 0.504 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.604 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.552 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.573 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.584 HD13 HD21 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.604 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.552 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.745 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 58.2 t30 . . . . . 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.554 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.599 HG11 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 HG12 HG11 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.488 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.61 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.616 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.61 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.683 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 120.91 0.386 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.735 HE22 HG23 ' A' ' 110' ' ' THR . 0.9 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.735 HG23 HE22 ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 . . . . . 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG11 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' SER . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG12 HG11 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 98.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.062 0.458 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD13 ' A' ' 67' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.63 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.622 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.525 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.602 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 HD21 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.622 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.63 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.587 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.542 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.408 ' HA ' HG23 ' A' ' 94' ' ' THR . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.586 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HB3' HG23 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' CB ' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 78' ' ' TRP . 73.1 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 119.521 -0.275 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.572 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' HD13 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.534 ' HG2' ' HB2' ' A' ' 113' ' ' PHE . 2.1 pm0 -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.639 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.957 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.957 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.416 HD22 ' H ' ' A' ' 114' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' H ' HG23 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.984 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.543 HD12 HG22 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 15' ' ' GLU . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.433 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo . . . . . 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 97' ' ' LEU . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.551 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 3.4 t-20 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.775 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.683 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 46.3 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.863 ' HE2' ' HA ' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 14.1 m120 . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.984 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.56 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.409 ' OG ' HG21 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.524 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.501 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 46' ' ' TYR . 6.0 p-10 . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 . . . . . 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' THR . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.441 HD22 ' C ' ' A' ' 114' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG11 HD11 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 17' ' ' MET . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.738 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 75' ' ' LEU . 24.9 t80 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.152 0.501 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.591 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD21 HD13 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' TYR . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD13 HD21 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.438 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.502 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.556 HD11 HG11 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.762 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 . . . . . 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 CA--C 1.522 -0.109 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' ILE . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' HD13 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG23 HD12 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.929 0.395 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.639 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.59 ' HB3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.529 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.63 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.456 ' H ' ' NE2' ' A' ' 93' ' ' GLN . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.566 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 121.296 0.569 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB3' HG23 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' OE1' ' HD3' ' A' ' 81' ' ' ARG . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.71 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.441 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.71 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.478 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB3' HD11 ' A' ' 106' ' ' LEU . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' HZ ' HD21 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.846 0.355 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 98' ' ' TYR . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.679 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.635 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' MET . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' H ' HD13 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.902 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' HG ' HD12 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 65' ' ' THR . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 64' ' ' GLY . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 74' ' ' LEU . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.651 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.745 ' HZ3' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.404 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.902 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.674 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.59 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.696 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' HG22 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HG2' HG22 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.664 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.664 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG22 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.61 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.493 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.701 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.81 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.81 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 72' ' ' ARG . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.758 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.573 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.2 mm100 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -114.29 77.71 1.09 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.6 167.12 25.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.039 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 mp -81.99 80.18 8.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 0.0 111.421 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -136.91 118.28 14.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.317 173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.2 tp -103.63 121.82 55.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.318 0.58 . . . . 0.0 110.908 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -118.08 129.33 55.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.39 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 8.0 pt20 -160.87 112.77 1.89 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 47.66 91.9 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' N ' ' HD3' ' A' ' 11' ' ' PRO . 11.5 p90 -141.07 63.94 19.38 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 121.55 0.691 . . . . 0.0 110.146 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 7.7 Cg_exo -72.01 -37.16 5.11 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.588 2.192 . . . . 0.0 112.081 -175.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -165.4 101.31 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.839 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.9 p -120.96 133.68 55.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.744 0.307 . . . . 0.0 110.54 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 109' ' ' LEU . 53.3 t -104.43 109.42 27.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.65 126.25 51.55 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -118.3 131.29 56.34 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.601 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 45.7 tpp -65.54 123.5 84.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 6.8 Cg_endo -49.72 106.54 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.305 2.67 . . . . 0.0 112.763 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -92.66 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.192 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.25 127.04 30.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.164 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -67.09 -43.05 83.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.272 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -97.86 136.45 38.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.112 0.482 . . . . 0.0 110.805 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 tt -129.91 142.82 42.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.692 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.0 32.29 0.61 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.05 -92.16 0.55 Allowed Glycine 0 C--O 1.227 -0.313 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.488 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.14 82.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -157.76 157.35 33.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.425 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 m -121.42 122.32 39.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -115.21 148.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 9.9 pt-20 -107.29 116.41 31.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 111.139 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.42 102.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.063 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 24.5 ttt85 -92.2 115.1 27.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.85 130.73 48.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.422 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.15 110.33 11.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.83 171.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.544 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 65.5 mt -96.0 117.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -109.86 89.44 7.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.232 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 86.2 Cg_endo -99.25 179.97 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.346 2.697 . . . . 0.0 112.378 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -66.48 -46.53 76.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.24 40.25 8.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.833 -0.698 . . . . 0.0 113.522 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -71.3 -30.47 66.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.101 0.477 . . . . 0.0 110.506 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -87.5 117.64 26.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.664 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -80.35 -33.02 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.0 110.296 177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.18 100.93 0.38 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.238 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 15.4 t -120.0 -13.4 9.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.918 0.389 . . . . 0.0 110.072 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' THR . 93.0 t 75.34 -44.39 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.739 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.5 t80 63.81 178.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.85 0.46 . . . . 0.0 110.234 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 37.7 m -155.43 132.79 10.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.777 0.322 . . . . 0.0 110.439 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -115.61 113.24 23.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.2 ttp180 -115.15 116.01 27.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 0.0 110.13 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 25.9 t80 -104.96 137.5 42.62 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.477 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -130.03 139.1 51.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.779 0.323 . . . . 0.0 110.391 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' ' 56' ' ' LYS . 7.3 tt0 -115.51 97.63 49.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.357 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 94' ' ' THR . 2.6 Cg_exo -77.16 -75.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.473 2.782 . . . . 0.0 112.492 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -113.82 154.63 27.11 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.97 -167.49 24.07 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 59.4 tttp -169.09 131.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.73 0.765 . . . . 0.0 111.69 175.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.39 -178.29 42.57 Favored Glycine 0 N--CA 1.441 -1.007 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.049 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.3 p -117.07 126.43 52.84 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 82' ' ' LEU . 44.0 tp -94.22 106.51 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.688 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.0 mtpm? -104.51 141.45 36.37 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.576 -174.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.0 mmm -69.63 161.31 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.122 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.06 -25.24 65.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.56 0.695 . . . . 0.0 109.738 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.29 -33.99 70.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.225 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.01 -37.48 2.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.694 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.0 m -53.56 137.02 37.63 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 124.011 0.477 . . . . 0.0 111.226 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.688 HG22 ' HG2' ' A' ' 60' ' ' LYS . 39.9 t -91.05 137.51 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.769 0.318 . . . . 0.0 110.616 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.31 125.79 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.875 0.369 . . . . 0.0 110.391 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -88.26 124.57 66.18 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.962 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 37.4 Cg_exo -57.36 136.62 77.27 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.785 2.323 . . . . 0.0 112.251 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 28.6 t-20 79.59 -23.74 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.044 0.938 . . . . 0.0 110.922 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 4.9 t70 -92.23 -170.81 2.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.5 ' H ' ' HE ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -154.06 163.69 39.69 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -173.18 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -133.03 158.75 41.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.186 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 mt -115.55 138.62 50.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 77' ' ' GLU . 2.4 pt? -145.66 179.12 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.986 0.422 . . . . 0.0 111.558 -172.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.38 -28.25 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.92 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' ' 75' ' ' LEU . 1.6 pm0 -74.56 134.09 42.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.099 0.476 . . . . 0.0 111.17 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -93.97 -15.22 25.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.749 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -122.06 125.82 47.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.397 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -160.59 162.35 32.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 111.002 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -112.2 136.41 51.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.3 mt -112.7 138.61 49.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.022 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 30' ' ' GLU . 39.8 m-85 -115.71 107.51 15.17 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.17 0.51 . . . . 0.0 110.606 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 86' ' ' SER . 55.1 t80 -95.95 114.21 25.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.04 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.3 m -101.47 107.25 18.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.675 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.725 ' HB2' ' OD1' ' A' ' 89' ' ' ASP . 8.4 p -97.25 169.51 9.73 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -165.36 -48.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.559 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 23.0 t -103.87 20.22 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.446 0.641 . . . . 0.0 110.653 -173.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.725 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-20 -74.13 133.62 42.81 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.705 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.92 -66.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.347 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 14.6 pt-20 -155.0 -55.53 0.1 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 91' ' ' GLU . . . -115.51 102.71 10.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -177.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' A' ' 113' ' ' PHE . 18.3 pm0 -117.87 149.7 40.42 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.622 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.575 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 12.4 m -121.24 132.42 54.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.4 -175.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 111' ' ' TYR . 2.3 pp -114.83 139.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 116.13 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.98 -175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.2 mt -108.81 106.48 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 85.7 m-85 -97.74 101.25 12.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.447 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.55 113.69 20.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 39.2 tt0 -118.89 146.49 44.87 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -156.0 160.01 39.67 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.79 -33.31 72.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -107.53 -35.72 6.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.29 -5.05 90.32 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.545 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 64.08 -99.2 0.07 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.983 0.513 . . . . 0.0 111.402 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 98' ' ' TYR . 54.4 tp -150.99 127.93 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.861 0.362 . . . . 0.0 111.174 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -125.57 111.32 14.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' H ' ' CD ' ' A' ' 108' ' ' GLN . 5.3 pm0 -98.07 128.2 44.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.03 0.443 . . . . 0.0 110.956 -176.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 HG11 ' A' ' 14' ' ' VAL . 96.7 mt -121.35 120.77 36.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.963 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.1 p -106.57 122.31 46.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.655 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 95' ' ' ILE . 83.4 m-85 -107.57 110.46 22.37 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.174 177.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.89 127.95 39.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.611 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 95.4 m-85 -99.19 134.83 41.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.764 0.316 . . . . 0.0 110.552 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' GLU . 51.9 m-80 70.04 -77.38 0.05 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 124.9 1.375 . . . . 0.0 110.336 -173.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.82 -54.37 2.97 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 121.054 -0.594 . . . . 0.0 113.444 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -52.45 132.42 34.82 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.408 0.623 . . . . 0.0 111.828 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -100.32 15.25 28.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.194 -168.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.4 96.19 2.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.778 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -87.75 -19.31 27.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.194 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -126.08 166.14 17.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -116.46 104.26 11.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -60.85 -31.06 70.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.48 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -174.63 137.75 0.48 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.425 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.471 ' N ' HD22 ' A' ' 2' ' ' ASN . 0.9 OUTLIER 62.62 65.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.046 -175.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.34 -30.55 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt 70.92 24.18 4.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.307 173.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.62 114.97 23.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.537 0.684 . . . . 0.0 109.494 172.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.722 HD13 ' H ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -83.22 40.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.516 -171.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 8.6 pt20 -58.26 94.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.419 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 10' ' ' TYR . 20.6 mm-40 66.54 -71.31 0.09 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.524 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 36.0 tt0 70.25 -38.78 0.42 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.17 0.988 . . . . 0.0 111.79 -176.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 8' ' ' GLN . 91.8 t80 -110.74 89.09 8.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.624 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 10.3 Cg_endo -92.25 -61.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.26 2.64 . . . . 0.0 111.654 173.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CB ' ' HA ' ' A' ' 37' ' ' PRO . 28.6 p90 -85.43 162.77 18.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.352 177.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.5 m -103.06 128.47 49.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.098 0.475 . . . . 0.0 110.972 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.06 115.68 46.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.12 125.88 51.47 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 m -149.96 131.41 14.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.092 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.512 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 10.9 mmt -82.18 138.76 45.48 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.89 99.9 0.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.227 1.952 . . . . 0.0 111.766 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 m -85.13 15.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.895 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.96 119.96 39.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -161.21 -58.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.535 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.806 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 7.7 pt-20 176.01 172.81 0.35 Allowed 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.76 174.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.747 HG22 ' HA ' ' A' ' 114' ' ' ASN . 16.9 tt -156.03 157.09 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.0 6.72 30.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.605 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' H ' HG23 ' A' ' 23' ' ' ILE . . . 97.91 -90.76 1.1 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 86' ' ' SER . 16.7 t70 -79.65 85.94 5.32 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 43.2 tt0 -150.71 143.67 24.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.026 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 27.7 m -96.38 122.11 38.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.717 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.2 m -107.81 147.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.195 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -106.13 111.71 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -88.02 108.47 18.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.306 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -85.89 104.41 15.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.531 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -125.03 130.87 53.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.076 -174.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -133.65 111.44 10.62 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 64.0 mt -101.91 92.0 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 21.6 ttpt -102.41 107.79 54.92 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.177 -170.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' ' CB ' ' A' ' 12' ' ' PHE . 95.7 Cg_endo -85.07 -177.38 2.75 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.085 2.523 . . . . 0.0 111.788 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -102.56 19.25 19.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.513 0.673 . . . . 0.0 109.269 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.7 -140.05 21.37 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 60.46 25.15 14.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.636 0.255 . . . . 0.0 111.6 175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -103.13 102.74 12.76 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.681 0.753 . . . . 0.0 110.406 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.8 mt -78.91 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.57 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.01 122.83 7.63 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 46' ' ' TYR . 60.5 m -151.97 107.95 3.39 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.674 -0.309 . . . . 0.0 110.835 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.62 -57.48 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.555 ' HB2' HG22 ' A' ' 44' ' ' THR . 5.9 t80 58.11 92.37 0.04 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.12 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -99.7 133.57 43.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.752 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 tp -107.54 120.1 41.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.992 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.538 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 19.8 ptt-85 -131.76 131.12 42.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.556 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.75 133.81 55.58 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.042 0.449 . . . . 0.0 109.954 -178.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 69.8 t80 -133.04 148.7 52.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.825 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.598 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.8 mt-30 -111.12 93.04 16.69 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.06 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 51' ' ' PHE . 14.7 Cg_exo -69.56 -16.57 38.45 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.638 2.225 . . . . 0.0 111.203 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 17.0 t70 -151.05 144.67 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.032 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.684 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 78.6 -160.04 46.87 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.155 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -162.3 133.86 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -167.0 178.49 41.22 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.421 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 m -123.45 126.23 46.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -114.67 135.93 53.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.253 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 14.5 ptmm? -141.75 156.68 45.58 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.8 mtm -92.33 174.31 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.154 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -45.68 -58.22 3.62 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 124.056 0.848 . . . . 0.0 112.734 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -72.78 -27.74 62.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.411 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.79 -139.9 8.8 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.8 m 61.89 105.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.326 0.584 . . . . 0.0 111.215 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -82.15 110.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.1 mt -72.42 133.11 44.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.796 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 74.4 mmtt -97.65 146.33 31.24 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.625 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 31.9 Cg_exo -58.45 141.35 97.1 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.526 2.151 . . . . 0.0 111.678 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.18 18.81 1.29 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.572 1.149 . . . . 0.0 112.418 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.515 ' HA ' HH11 ' A' ' 72' ' ' ARG . 5.4 t70 -98.23 157.77 15.97 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.515 HH11 ' HA ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -126.26 131.89 51.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.137 0.494 . . . . 0.0 111.343 -172.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -123.38 159.08 29.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.3 tp -84.48 110.65 18.82 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' A' ' 46' ' ' TYR . 38.4 tp -97.55 105.9 18.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 -176.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -24.59 16.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -73.89 133.53 43.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.876 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.572 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 82.3 m95 -106.45 -32.97 7.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.807 . . . . 0.0 108.972 174.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -115.29 125.63 53.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.896 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -167.8 -174.94 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 112.215 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -138.35 139.83 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.731 176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 59' ' ' LEU . 95.2 mt -117.2 139.41 50.81 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.775 0.321 . . . . 0.0 111.077 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 54.1 m-85 -98.76 109.18 21.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.885 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -110.23 110.14 20.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.666 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 37.0 m -90.06 108.32 19.66 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.519 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.484 ' HB3' ' OE1' ' A' ' 93' ' ' GLN . 34.1 m -74.1 136.67 42.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 44.6 mt-30 -126.59 6.8 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -175.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 t -112.02 114.01 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -84.87 -35.16 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.199 0.523 . . . . 0.0 110.763 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -121.0 144.6 48.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.949 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 71.29 8.84 6.46 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.815 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.76 -167.53 0.18 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.831 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.684 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -147.92 145.22 28.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.879 173.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 112' ' ' ASP . 7.9 m -129.49 126.13 37.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -114.23 135.39 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.175 0.512 . . . . 0.0 111.057 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.25 108.4 19.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.016 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 50' ' ' TYR . 81.5 mt -92.43 105.81 17.93 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.538 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 73.1 m-85 -95.72 106.55 18.68 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.972 0.415 . . . . 0.0 110.902 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -95.71 114.54 26.29 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' TYR . 32.5 tt0 -106.33 122.68 46.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.275 0.559 . . . . 0.0 110.321 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -83.98 157.63 21.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.975 -177.167 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.525 ' CB ' ' HA ' ' A' ' 44' ' ' THR . 6.5 t30 -73.87 -44.97 53.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.994 -177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -64.98 -46.73 80.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.22 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.604 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 101' ' ' ASP . 59.6 t30 -97.55 153.84 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.163 0.482 . . . . 0.0 110.079 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 tp -135.99 123.24 21.78 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -119.75 111.68 18.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.023 0.44 . . . . 0.0 109.893 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -105.87 108.73 20.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.374 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -100.1 108.62 20.82 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.654 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -103.06 131.56 49.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.085 0.469 . . . . 0.0 110.199 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.31 120.32 19.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.563 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 94' ' ' THR . 6.5 p-10 -90.46 141.42 28.76 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 173.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.21 133.5 55.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.555 0.693 . . . . 0.0 111.443 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.747 ' HA ' HG22 ' A' ' 23' ' ' ILE . 28.4 t-20 163.95 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.048 -1.887 . . . . 0.0 107.114 -178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.806 ' HA3' ' HA ' ' A' ' 22' ' ' GLU . . . 117.47 -1.79 18.38 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.784 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.5 mttp 66.01 152.55 0.07 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.283 0.563 . . . . 0.0 110.427 -174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.07 74.44 10.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.24 0.543 . . . . 0.0 110.295 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.94 158.36 40.44 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.24 -25.07 60.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.1 p80 32.78 65.18 0.24 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.263 0.977 . . . . 0.0 111.457 -174.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -56.86 -34.63 68.01 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.875 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -138.88 158.57 43.96 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -64.99 113.6 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.369 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.308 -177.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -68.19 157.4 35.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.179 0.514 . . . . 0.0 110.947 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -90.53 163.18 14.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.791 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.23 103.7 15.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.262 0.553 . . . . 0.0 110.844 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.69 20.24 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.327 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 tt -75.09 -0.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.519 -175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -145.6 126.81 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.079 -0.388 . . . . 0.0 110.165 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 12.5 pt20 -135.01 -47.04 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 45.9 mt-10 70.81 138.67 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.807 0.692 . . . . 0.0 110.863 -175.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -160.88 108.19 1.29 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.175 0.512 . . . . 0.0 111.396 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.95 -32.99 1.67 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.751 2.3 . . . . 0.0 111.331 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 41.7 p90 -155.53 161.95 40.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.932 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 m -113.77 132.97 55.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -97.68 115.38 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 39.9 mt-10 -105.44 144.15 32.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.7 t -158.53 150.84 21.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.944 0.402 . . . . 0.0 110.983 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.52 ' SD ' ' HD2' ' A' ' 18' ' ' PRO . 16.5 tpt -88.85 122.86 68.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.167 175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 87.4 Cg_exo -41.93 123.31 2.39 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.634 2.889 . . . . 0.0 113.086 -177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.8 m -89.54 176.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.276 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.01 105.51 17.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -61.72 -33.41 73.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.035 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.7 100.75 13.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.453 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 25' ' ' GLY . 20.2 mt -126.58 113.73 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 0.0 110.431 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.13 10.64 16.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.661 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 23' ' ' ILE . . . 82.59 164.27 34.77 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.58 -48.73 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.143 0.577 . . . . 0.0 111.545 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.59 146.11 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.529 0.731 . . . . 0.0 111.849 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.2 m -112.32 127.66 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.154 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.02 149.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.342 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.46 117.31 33.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.621 0.724 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -95.42 109.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.444 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 37.9 ttt180 -85.76 111.02 19.76 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -121.24 130.9 53.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.203 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 79' ' ' LYS . 40.8 mt-10 -133.43 112.33 11.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.099 -177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.1 mp -96.42 123.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 ttmp? -116.22 101.9 53.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.648 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HA ' ' HB3' ' A' ' 12' ' ' PHE . 12.1 Cg_exo -70.33 133.86 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 123.083 2.522 . . . . 0.0 112.046 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.1 m -94.03 3.63 55.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.109 0.48 . . . . 0.0 110.844 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.9 174.71 20.41 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.658 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -79.81 -178.16 6.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -109.07 147.77 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.857 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.6 pt -119.49 -159.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.036 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.04 58.0 2.27 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.228 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' ' 103' ' ' TRP . 0.6 OUTLIER -104.18 157.3 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 122.812 0.445 . . . . 0.0 110.98 -179.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 102' ' ' ASN . 58.9 t -100.4 -43.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.92 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 69.88 111.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.068 0.855 . . . . 0.0 110.997 -177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.526 ' CG2' ' HB2' ' A' ' 72' ' ' ARG . 30.7 m -141.11 141.38 34.2 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.075 -177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.4 tp -126.26 115.15 19.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 72' ' ' ARG . 18.9 ptp180 -107.09 139.77 40.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.453 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 84.4 m-85 -108.86 128.56 55.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.715 -176.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.408 ' HE2' ' HD3' ' A' ' 49' ' ' ARG . 56.3 m-85 -130.09 132.33 46.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.228 174.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 77.0 mt-30 -124.03 86.78 53.68 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.779 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.14 -61.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.994 2.463 . . . . 0.0 112.698 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 1.6 m-20 -79.7 -47.25 15.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -175.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -101.4 152.74 18.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.565 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.37 132.62 50.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -161.23 169.53 36.81 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.387 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.558 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 2.3 p -101.49 108.83 20.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD21 HD13 ' A' ' 82' ' ' LEU . 24.2 tp -94.31 109.23 21.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.76 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -104.39 143.35 33.12 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.731 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 91.1 mtp -82.81 169.69 15.85 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 41.9 mt-10 -65.99 -7.2 15.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.576 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.03 -30.02 13.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 110.827 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -12.26 9.79 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.924 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.4 m -57.41 128.02 34.91 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.83 121.1 42.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.011 0.434 . . . . 0.0 110.509 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.453 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 47.5 mt -88.72 120.45 30.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.784 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -97.14 130.64 29.28 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.71 93.24 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.972 2.448 . . . . 0.0 111.44 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 t30 163.98 -43.99 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.448 -170.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.61 164.65 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.738 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.76 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -132.5 102.98 5.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.422 -1.263 . . . . 0.0 108.388 175.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.434 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 71.3 m-85 -90.68 144.88 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.109 -171.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 74' ' ' LEU . 2.8 mm? -84.49 96.68 9.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.661 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.2 mt -95.93 103.79 15.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.374 0.607 . . . . 0.0 110.948 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -88.33 15.19 8.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.279 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -122.65 134.72 54.48 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.595 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -96.27 -10.33 28.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.835 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.556 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 14.2 tmtt? -129.97 125.86 36.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -164.12 159.17 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.42 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -114.63 134.62 54.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.804 0.335 . . . . 0.0 110.336 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 HD13 HD21 ' A' ' 59' ' ' LEU . 86.0 mt -112.53 138.48 49.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.229 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 79.2 m-85 -106.02 112.02 24.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.959 0.409 . . . . 0.0 110.34 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -100.37 103.38 14.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.558 ' HB ' ' OG ' ' A' ' 58' ' ' SER . 92.6 m -88.9 110.75 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 m -65.33 115.13 5.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.326 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.56 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 15.0 mm100 -89.46 -38.65 13.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.5 p -75.41 156.69 35.1 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.222 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.11 -11.15 7.57 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -169.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -81.12 -176.46 5.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.19 0.519 . . . . 0.0 111.478 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HA ' ' H ' ' A' ' 115' ' ' GLY . 36.8 mt-10 -96.64 30.26 2.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.729 -171.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.6 88.64 2.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 0.0 111.056 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.8 mp0 -112.54 91.71 3.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.161 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 6.7 m -105.52 116.53 32.11 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.201 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG22 ' HG2' ' A' ' 52' ' ' GLN . 36.8 pt -120.17 146.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.311 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -118.2 125.72 50.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.968 0.413 . . . . 0.0 111.199 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.1 mt -107.3 116.26 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.704 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 96.3 m-85 -105.38 105.0 14.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' O ' HD12 ' A' ' 106' ' ' LEU . 90.7 m-85 -90.03 115.27 27.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.025 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.706 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -114.28 136.01 53.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.549 ' HB2' ' H ' ' A' ' 104' ' ' GLY . 71.7 m-20 -73.1 -21.65 60.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 164.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 6.6 t30 68.61 10.66 8.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.56 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.545 ' HB3' HG22 ' A' ' 44' ' ' THR . 37.3 t-105 -138.74 -43.66 0.48 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.556 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.549 ' H ' ' HB2' ' A' ' 101' ' ' ASP . . . -126.27 -85.56 0.57 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.962 -1.113 . . . . 0.0 114.166 -175.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.54 150.82 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.244 0.545 . . . . 0.0 112.269 -168.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.706 HD13 ' HG2' ' A' ' 100' ' ' GLU . 43.1 tp -126.4 133.67 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.41 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -120.52 121.97 39.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.775 0.322 . . . . 0.0 110.444 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -103.26 111.09 23.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.56 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.81 114.82 29.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.759 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 m -105.3 119.38 38.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.313 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -108.28 127.98 54.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.709 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.34 111.71 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.054 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.559 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 65.7 m-85 -104.81 134.91 47.14 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.422 ' OD1' ' HB2' ' A' ' 116' ' ' LYS . 5.2 p30 -141.72 147.62 37.71 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 91' ' ' GLU . . . -69.86 -55.6 9.32 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.326 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 114' ' ' ASN . 6.8 ttpm? 60.7 47.75 7.83 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.821 0.82 . . . . 0.0 109.849 176.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -77.29 85.08 3.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.457 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -77.68 -92.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.628 177.062 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.431 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 3.1 t-160 61.59 -79.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.912 0.885 . . . . 0.0 112.119 174.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -94.84 9.81 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.745 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -138.79 142.96 38.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.897 174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.406 ' C ' ' H ' ' A' ' 124' ' ' HIS . 31.6 m-70 -133.63 -46.82 0.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 71.07 -30.63 0.21 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.826 0.85 . . . . 0.0 112.519 173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 122' ' ' HIS . 47.6 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.041 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.817 0.341 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -77.46 25.44 0.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.212 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -92.76 -49.77 5.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp -77.23 99.83 5.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.08 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 t70 69.09 120.28 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.262 0.976 . . . . 0.0 111.696 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.84 106.49 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.776 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -109.85 94.56 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.092 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.708 ' HG3' ' H ' ' A' ' 9' ' ' GLU . 3.6 tp60 -172.75 -174.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.756 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.708 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 32.9 mm-40 -87.98 133.23 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.68 0.276 . . . . 0.0 111.3 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -161.13 109.43 1.26 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.417 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.98 144.05 68.51 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.899 2.399 . . . . 0.0 111.711 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 70.7 t80 70.97 91.19 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.945 0.778 . . . . 0.0 110.429 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.9 m -115.04 128.45 56.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 35' ' ' ILE . 22.0 t -110.61 113.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -128.33 159.46 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.183 0.516 . . . . 0.0 110.354 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 p -148.65 154.8 40.19 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 32' ' ' ARG . 65.4 mtt -65.11 121.08 72.28 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -47.03 114.85 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.467 2.778 . . . . 0.0 112.857 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG11 HG13 ' A' ' 31' ' ' ILE . 30.3 m -91.73 177.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.107 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 152.14 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -28.54 66.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.671 0.748 . . . . 0.0 110.134 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.33 165.61 15.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.015 -168.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 17.2 tt -150.48 142.18 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.001 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -55.15 -39.74 69.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.94 -32.03 4.13 Favored Glycine 0 C--O 1.225 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.809 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -117.66 8.95 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.826 0.822 . . . . 0.0 108.954 173.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 66.8 tt0 -80.2 148.68 30.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.138 -172.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.5 m -104.79 114.58 28.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.793 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 m -105.03 137.66 33.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -106.16 107.15 18.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.637 0.732 . . . . 0.0 110.694 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.473 HG13 HG11 ' A' ' 19' ' ' VAL . 4.0 mp -83.05 116.85 27.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.323 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.535 ' HE ' ' HG2' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -92.19 102.72 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.7 tp -102.86 130.9 50.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.93 -173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -135.1 110.77 9.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.919 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 36.9 mt -100.87 141.61 17.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.891 0.377 . . . . 0.0 110.768 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 7.4 mtpm? -105.03 97.96 14.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.315 174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.41 165.28 32.11 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.747 2.298 . . . . 0.0 113.845 -174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.2 p -147.38 108.11 4.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.496 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.26 -48.64 0.3 Allowed Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 71.13 149.74 0.09 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.778 -0.711 . . . . 0.0 112.436 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 64.54 -90.55 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.355 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.0 mt -137.33 131.14 44.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -119.12 76.04 0.3 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.0 m 56.81 -104.63 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.627 0.371 . . . . 0.0 110.255 -175.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -146.47 92.44 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -61.57 110.33 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 109.972 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -100.97 134.74 43.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.076 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 65.0 tp -118.43 112.05 19.47 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -126.05 138.04 53.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 110.82 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 67' ' ' LEU . 89.3 m-85 -108.04 150.32 27.3 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.012 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -154.09 129.81 10.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.06 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.569 HE21 ' HB ' ' A' ' 95' ' ' ILE . 22.5 mp0 -118.84 100.65 50.83 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -57.5 1.25 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 111.251 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -124.47 100.52 6.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.892 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.83 132.23 1.46 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -132.81 139.92 47.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.887 0.375 . . . . 0.0 110.427 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.99 -140.13 5.89 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.78 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 m -143.95 112.99 6.77 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.615 0.245 . . . . 0.0 110.538 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' A' ' 82' ' ' LEU . 41.6 tp -93.64 109.84 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.75 149.72 24.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.423 -173.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 76.9 mtp -83.67 -172.51 4.19 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -65.62 -16.44 63.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.872 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 -8.58 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.541 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.21 -2.41 37.68 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.354 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.7 m -64.61 119.14 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.223 0.512 . . . . 0.0 111.128 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.01 131.34 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.793 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 50' ' ' TYR . 23.6 mt -96.4 139.72 32.1 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.787 -178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -87.26 123.65 69.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.56 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 7.9 Cg_exo -73.74 74.09 3.4 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 123.527 2.818 . . . . 0.0 111.818 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 26.0 t-20 167.94 -38.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.24 -173.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.05 154.58 21.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.935 -168.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.7 mtp-105 -101.13 108.45 20.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.686 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.25 -173.34 3.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.75 132.7 56.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.895 0.378 . . . . 0.0 110.276 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.652 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 43.8 tp -104.88 103.62 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 -177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.95 -40.94 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.074 0.464 . . . . 0.0 110.462 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.07 148.17 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.744 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.564 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 78.9 m95 -111.41 -12.73 13.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -167.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -120.32 125.25 47.56 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -170.99 163.87 7.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.927 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 81' ' ' ARG . 22.8 mtm180 -110.97 136.72 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.6 mt -113.61 138.59 49.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -112.54 107.27 15.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.643 0.258 . . . . 0.0 110.391 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -98.7 106.18 18.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.049 0.452 . . . . 0.0 111.262 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.4 m -94.52 117.42 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.667 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -86.36 147.73 25.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -141.47 -177.67 5.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.069 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t 64.12 20.54 12.23 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.515 0.509 . . . . 0.0 110.663 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 54.99 26.12 7.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.07 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' LYS . 28.0 mmmt -79.59 109.47 14.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.221 0.534 . . . . 0.0 110.042 176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -54.32 4.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.655 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.62 ' HB2' ' HE3' ' A' ' 116' ' ' LYS . . . -79.58 106.34 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.859 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -131.0 134.64 46.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 m -110.52 122.75 48.5 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.622 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.569 ' HB ' HE21 ' A' ' 52' ' ' GLN . 34.7 pt -113.92 131.69 65.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 110.571 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 0.9 OUTLIER -106.76 110.5 22.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.063 179.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.03 109.79 22.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.834 ' HE1' HE21 ' A' ' 108' ' ' GLN . 61.2 m-85 -103.14 110.41 22.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 111.352 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -96.92 113.61 25.16 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 106' ' ' LEU . 40.4 tt0 -141.35 122.2 14.45 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -165.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' OD1' ' HB ' ' A' ' 44' ' ' THR . 37.8 t0 -99.74 124.04 44.6 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 163.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -59.55 -30.3 68.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.162 -172.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -114.45 16.2 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.371 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.77 -120.29 2.07 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.604 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -104.89 142.65 34.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 0.0 111.492 -173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 100' ' ' GLU . 42.5 tp -119.9 118.25 30.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.813 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -121.26 136.53 54.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.834 HE21 ' HE1' ' A' ' 98' ' ' TYR . 33.4 tt0 -118.13 121.75 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.996 0.427 . . . . 0.0 111.51 -176.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.9 mt -110.62 109.55 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.84 170.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -105.93 118.86 37.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.181 0.515 . . . . 0.0 111.086 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -112.05 119.37 38.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.811 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -108.94 114.82 28.9 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -99.01 142.58 30.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.597 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 62.44 42.3 9.04 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.98 0.8 . . . . 0.0 110.167 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -54.12 107.82 0.73 Allowed Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.791 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.62 ' HE3' ' HB2' ' A' ' 92' ' ' ALA . 93.6 mttt -78.2 117.17 19.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 98.8 mt 69.73 13.38 8.12 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.844 0.715 . . . . 0.0 110.65 -177.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -102.68 33.24 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.825 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -83.82 31.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -67.13 -27.9 67.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.92 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -81.61 105.38 12.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 164.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -79.37 -25.96 42.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.702 -170.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -102.96 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.317 -0.402 . . . . 0.0 109.978 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.145 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.23 89.98 0.08 Allowed 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -170.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -83.14 2.34 35.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.899 -168.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.78 -179.23 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -81.32 108.09 14.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.43 114.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.433 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -83.1 134.54 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.08 102.81 8.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 -175.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.81 17.26 5.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.659 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -121.02 94.48 48.96 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 121.656 0.741 . . . . 0.0 111.772 -173.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -84.42 5.0 6.55 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.817 2.345 . . . . 0.0 111.626 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 50.7 p90 -135.59 178.62 6.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.194 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 m -130.9 130.05 43.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.756 0.312 . . . . 0.0 111.393 -176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.7 t -104.96 127.4 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.7 mm-40 -104.7 139.89 38.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.378 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 t -147.89 118.42 7.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 ttt -65.83 138.17 96.38 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.518 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -58.09 96.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.689 2.259 . . . . 0.0 112.238 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 31' ' ' ILE . 19.6 m -80.57 -7.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.804 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.4 170.64 0.32 Allowed 'General case' 0 C--O 1.231 0.087 0 O-C-N 124.318 1.011 . . . . 0.0 111.69 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -108.86 17.02 22.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.959 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.24 147.23 51.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.642 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 113' ' ' PHE . 16.6 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.02 163.45 14.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.685 0.279 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 142.62 48.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.102 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 76.64 -15.94 0.68 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.579 0.752 . . . . 0.0 111.705 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.78 152.52 44.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.176 0.512 . . . . 0.0 111.107 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -128.49 117.38 21.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.097 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 m -101.04 147.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.666 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 83' ' ' TYR . 47.8 mt-10 -97.54 112.47 24.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.46 . . . . 0.0 110.379 -178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.941 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 56.1 mt -89.92 100.3 10.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.548 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -93.88 102.43 14.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.563 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.86 130.69 53.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.29 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.2 mt-10 -133.04 113.54 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.541 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 63.9 mt -90.04 120.33 38.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 38.3 mtpt -112.13 92.93 19.8 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.486 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 6.1 Cg_endo -86.78 132.61 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.114 2.543 . . . . 0.0 112.228 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -74.5 -41.52 60.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.011 0.434 . . . . 0.0 110.65 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.79 138.29 2.44 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.876 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -161.2 164.56 30.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -71.46 108.96 5.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.028 0.442 . . . . 0.0 110.343 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.2 pt -79.7 25.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.671 -177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -20.08 79.68 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.217 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -97.63 174.1 6.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.77 137.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.43 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -113.88 122.9 48.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 110.537 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -123.06 145.15 48.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.8 tp -107.55 131.3 54.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.906 ' HB2' ' HA ' ' A' ' 70' ' ' ASN . 18.5 ptt85 -150.62 155.32 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.232 174.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -135.38 169.52 17.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.361 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 53' ' ' PRO . 34.0 m-85 -130.86 150.16 52.16 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.685 178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -111.69 83.47 4.53 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.329 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' O ' ' A' ' 94' ' ' THR . 5.3 Cg_exo -75.57 -56.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.953 2.435 . . . . 0.0 112.382 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 94' ' ' THR . 28.3 m-20 -114.51 102.95 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.684 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.19 -165.98 12.21 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.4 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 52.5 tttm -163.51 132.63 3.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 110.544 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -169.61 167.06 40.2 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -101.49 114.58 28.72 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.941 0.371 . . . . 0.0 110.867 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' ' 82' ' ' LEU . 45.3 tp -96.58 107.73 20.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.031 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -115.03 152.46 32.43 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.134 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.2 mtp -80.24 -171.41 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 83' ' ' TYR . 56.3 mp0 -51.75 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.6 t70 67.5 -11.95 0.29 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.081 0.952 . . . . 0.0 112.768 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.41 166.35 31.66 Favored Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.713 -172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m 68.11 94.81 0.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 111.423 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.36 119.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.777 176.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -75.65 145.51 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.077 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.24 155.68 46.54 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.484 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' C ' HD22 ' A' ' 70' ' ' ASN . 82.6 Cg_exo -47.94 117.66 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.524 2.15 . . . . 0.0 111.611 176.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.906 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER 32.62 50.6 0.21 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.074 1.35 . . . . 0.0 114.262 -177.071 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -87.21 -21.09 26.08 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.893 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.624 ' HG3' ' HD3' ' A' ' 49' ' ' ARG . 86.0 mtt180 70.92 114.5 0.05 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.664 0.786 . . . . 0.0 112.991 174.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -115.85 131.76 56.84 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -84.16 107.41 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.03 119.5 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 111.375 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -84.21 -12.09 55.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.789 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 10.7 tp10 -97.98 135.38 39.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.249 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -96.67 -2.8 43.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.96 0.409 . . . . 0.0 111.75 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.533 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 21.9 pttm -131.36 146.59 52.35 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -158.0 160.23 37.26 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.08 0.467 . . . . 0.0 111.158 -175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 127.53 56.19 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.941 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 86.2 mt -113.21 139.2 48.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.106 0.479 . . . . 0.0 110.985 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 62' ' ' GLU . 83.6 m-85 -113.51 106.35 14.44 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.496 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -101.57 108.2 19.7 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 57.9 m -97.49 116.34 29.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.471 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 2.6 p -78.29 100.56 6.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.431 0.634 . . . . 0.0 110.448 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.494 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.7 pt20 -98.06 -22.6 16.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.94 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -124.4 38.87 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.256 0.55 . . . . 0.0 109.819 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.715 ' HB2' ' HB2' ' A' ' 86' ' ' SER . 18.7 t70 -76.74 106.1 8.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.561 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -129.58 -51.59 1.16 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -108.68 -168.47 1.35 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.103 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.87 131.0 46.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.609 HE22 ' HB3' ' A' ' 86' ' ' SER . 47.9 mt-30 -100.21 126.0 46.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.004 178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.588 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m -130.12 114.41 15.7 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.932 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.9 pt -114.28 142.47 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.526 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.14 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.732 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.55 115.76 28.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.972 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CE1' ' HD2' ' A' ' 51' ' ' PHE . 82.7 m-85 -102.15 107.23 18.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.048 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -86.43 113.65 22.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -116.88 126.71 53.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.16 0.505 . . . . 0.0 112.198 -166.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -85.62 149.64 25.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 170.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -50.97 -39.49 55.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.456 0.473 . . . . 0.0 111.439 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -149.36 -15.1 0.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.68 -98.41 0.29 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.672 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -114.31 149.04 36.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 112.185 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.38 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.523 HE22 ' HG ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -118.84 111.92 19.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -178.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -113.43 134.09 54.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.246 0.546 . . . . 0.0 111.125 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.523 ' HG ' HE22 ' A' ' 107' ' ' GLN . 92.1 mt -114.75 113.22 23.98 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.013 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -91.57 139.48 30.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.822 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -127.06 121.57 31.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.017 0.437 . . . . 0.0 110.658 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -95.26 124.26 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.78 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 99.4 m-85 -121.91 134.31 54.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.979 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 76.81 -18.17 0.5 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.719 0.637 . . . . 0.0 112.459 171.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.82 158.99 13.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.686 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt 55.37 75.35 0.32 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.485 0.659 . . . . 0.0 111.289 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.471 HD21 ' O ' ' A' ' 21' ' ' ASP . 85.7 mt -122.46 96.61 5.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.293 -174.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 121' ' ' HIS . 40.9 mt-10 -120.85 169.63 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -74.35 89.78 2.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.004 0.43 . . . . 0.0 111.71 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 61.28 22.79 13.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.945 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 83.9 m-70 -152.98 173.72 15.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.794 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -154.55 131.62 10.97 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 167.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -126.69 179.41 5.36 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.344 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.723 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -77.65 154.23 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -119.92 -173.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.99 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.8 mm? 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.464 0.477 . . . . 0.0 112.001 177.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -83.1 -32.49 26.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.13 0.49 . . . . 0.0 110.434 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 6' ' ' ILE . 2.2 pp -78.95 172.7 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.041 177.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.8 166.35 11.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.437 ' HB3' ' CH2' ' A' ' 78' ' ' TRP . 0.5 OUTLIER -105.94 129.91 53.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.597 -175.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -132.45 -22.24 2.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.447 0.642 . . . . 0.0 109.753 175.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -106.4 170.46 5.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 75.4 Cg_exo -27.64 132.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 124.734 3.623 . . . . 0.0 115.126 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -134.08 144.52 48.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.739 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 89.3 m -94.08 128.06 40.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.917 0.389 . . . . 0.0 110.416 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -107.34 116.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.435 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -103.36 125.02 49.75 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 m -125.42 124.02 40.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.433 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.5 mmm -86.56 144.18 37.24 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.718 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.29 97.19 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.529 2.153 . . . . 0.0 110.249 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 31' ' ' ILE . 28.0 m -80.61 -38.94 17.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.255 -169.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB2' HG11 ' A' ' 29' ' ' VAL . . . -170.63 118.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.685 0.278 . . . . 0.0 111.251 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.55 -27.48 60.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 158.51 40.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 86' ' ' SER . 18.9 tt -127.97 135.43 62.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.145 0.498 . . . . 0.0 110.717 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.22 31.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.157 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.81 -79.78 0.7 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.425 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -65.9 -13.11 59.06 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.758 0.313 . . . . 0.0 111.492 -177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.19 151.92 38.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.855 0.836 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 90.5 m -126.2 114.97 19.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.183 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.837 HG11 ' HB2' ' A' ' 20' ' ' ALA . 14.1 m -100.4 137.22 28.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -173.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -80.77 98.39 7.75 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.211 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.723 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 59.8 mt -81.83 98.93 4.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HD2' HH11 ' A' ' 32' ' ' ARG . 23.7 ttt180 -103.16 112.67 25.63 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.607 -173.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -111.6 130.71 55.66 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.839 175.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 38.0 mt-10 -132.61 112.57 12.16 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.123 175.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 13' ' ' THR . 82.1 mt -108.97 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.554 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -105.22 107.79 59.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.94 126.73 12.17 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.572 2.181 . . . . 0.0 112.085 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -29.54 20.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.573 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 10' ' ' TYR . . . -108.9 141.51 15.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.702 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -123.38 118.83 28.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.607 . . . . 0.0 111.113 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -149.73 -161.47 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.653 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -43.24 40.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.125 0.488 . . . . 0.0 109.805 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.05 -127.35 10.96 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.313 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' CG2' ' HB2' ' A' ' 101' ' ' ASP . 5.2 t -172.08 167.23 6.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -172.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.94 107.5 13.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.939 -176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 100' ' ' GLU . 92.8 m-85 -89.56 125.11 35.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.404 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.3 m -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.693 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.2 tp -113.5 116.64 29.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 0.0 110.791 -177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.584 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 38.0 ttp-105 -107.36 132.29 53.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.831 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' HD13 ' A' ' 67' ' ' LEU . 49.0 m-85 -105.35 142.18 35.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -154.52 142.97 20.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.121 0.263 . . . . 0.0 110.338 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -125.43 95.01 41.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 94' ' ' THR . 33.1 Cg_exo -61.41 -47.0 12.81 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.011 2.474 . . . . 0.0 112.826 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.14 149.45 52.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 95.05 -169.62 28.27 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.272 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 58.0 tttp -154.74 134.26 12.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.21 -176.39 45.27 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.983 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 p -124.76 114.86 19.83 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.909 0.385 . . . . 0.0 110.438 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -93.75 118.58 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.0 mttt -117.44 138.87 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.547 -172.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.444 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 89.6 mmm -70.65 93.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HA ' ' HD1' ' A' ' 83' ' ' TYR . 46.2 mt-10 49.96 35.16 9.1 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 123.43 0.456 . . . . 0.0 111.51 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 60' ' ' LYS . 34.5 t70 62.71 21.02 12.48 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.075 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.47 -4.33 21.89 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.255 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 86.9 m -157.66 129.79 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.7 t -87.83 131.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 50' ' ' TYR . 32.4 mt -99.42 145.32 27.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.716 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HE2' ' OD1' ' A' ' 70' ' ' ASN . 85.8 tttt -97.41 118.45 64.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.487 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -73.62 86.45 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.255 2.637 . . . . 0.0 113.414 -176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' OD1' ' HE2' ' A' ' 68' ' ' LYS . 3.1 p-10 163.02 -23.85 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.513 1.125 . . . . 0.0 109.753 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 3.9 t70 -88.75 150.42 22.96 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.195 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 37.8 mtm180 -96.16 112.34 24.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.113 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 73.2 m-85 -100.29 127.7 46.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.07 0.462 . . . . 0.0 111.49 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.5 tp -99.67 87.35 3.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 73' ' ' TYR . 60.1 mt -121.57 -169.44 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.336 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -56.13 124.61 18.44 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.792 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.21 176.09 5.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.262 -168.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.437 ' CH2' ' HB3' ' A' ' 8' ' ' GLN . 23.7 m95 72.05 -63.05 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.471 1.109 . . . . 0.0 112.324 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 15.4 ttmm -126.46 125.43 42.09 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -169.88 159.8 8.09 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 110.725 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.42 133.18 55.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 96.0 mt -111.27 138.97 47.06 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.524 ' HD1' ' HA ' ' A' ' 62' ' ' GLU . 34.3 m-85 -109.47 108.11 18.49 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' THR . 69.8 t80 -97.5 101.09 12.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.705 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.1 m -89.93 109.07 20.11 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 172.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.537 ' HB2' HD13 ' A' ' 23' ' ' ILE . 8.0 t -78.63 149.79 32.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.999 0.428 . . . . 0.0 110.743 -173.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 56' ' ' LYS . 16.5 mm100 -117.2 7.05 12.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.427 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 46.8 t -141.56 142.4 33.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.743 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.34 -67.25 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.563 174.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 39.33 -103.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.338 1.055 . . . . 0.0 113.283 169.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.58 -31.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.81 137.36 17.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 27.2 mp0 -128.31 108.52 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 171.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 4.4 m -109.91 122.7 48.15 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.05 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.1 pt -118.66 144.59 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -130.14 116.13 18.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 80.0 mt -100.73 120.21 39.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.757 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 57.5 m-85 -105.4 109.18 21.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.719 0.295 . . . . 0.0 111.425 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -95.23 114.4 26.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.616 ' HB3' HD13 ' A' ' 106' ' ' LEU . 12.8 pt-20 -126.91 151.17 48.8 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.218 0.532 . . . . 0.0 111.961 -173.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.671 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -106.99 -176.95 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.904 173.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -64.19 -40.79 96.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 -33.14 3.6 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -168.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -41.39 0.09 OUTLIER Glycine 0 C--O 1.229 -0.189 0 C-N-CA 118.74 -1.695 . . . . 0.0 114.738 -169.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.671 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 31.1 t-20 -75.27 124.27 26.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.849 0.357 . . . . 0.0 110.497 -172.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 100' ' ' GLU . 19.4 tp -151.7 115.28 4.84 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -119.62 118.84 32.03 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.28 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 3.9 pt20 -99.61 116.31 31.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -96.47 108.97 21.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.411 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.2 m -99.93 116.91 33.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.318 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.09 125.43 53.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.6 114.08 21.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 -175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 36.7 m-85 -101.66 174.56 5.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.727 -177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -155.82 166.45 33.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.92 39.23 1.28 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.017 -1.087 . . . . 0.0 112.243 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -138.94 -27.99 0.81 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.4 tp -67.12 100.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 68.17 -63.61 0.32 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.844 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.7 t60 67.19 -89.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.605 0.762 . . . . 0.0 111.655 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 47.62 -111.59 0.4 Allowed 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -172.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -155.76 101.82 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -93.56 116.98 29.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.227 0.537 . . . . 0.0 110.471 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.93 46.74 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.042 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.229 -173.643 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 60.5 85.63 0.11 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.506 0.67 . . . . 0.0 109.528 -174.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -113.18 74.86 0.88 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.197 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt 73.48 -71.9 0.13 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.792 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -86.88 144.77 26.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 110.402 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.06 -161.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.838 -172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 67.68 93.17 0.08 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.504 0.503 . . . . 0.0 111.05 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 67.68 92.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.15 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 43.9 tt0 -89.7 -29.68 18.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.032 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.45 115.68 55.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.202 -176.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 9' ' ' GLU . 84.0 Cg_endo -85.12 3.21 7.49 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.678 2.252 . . . . 0.0 111.231 173.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -153.82 164.91 37.57 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.156 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 HG22 ' HG3' ' A' ' 15' ' ' GLU . 88.4 m -122.97 128.51 50.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.906 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -91.89 100.84 11.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.174 0.511 . . . . 0.0 110.457 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 13' ' ' THR . 49.9 mt-10 -110.97 125.85 54.14 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.146 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . 19.1 p -155.78 166.0 34.83 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -177.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.26 128.29 53.94 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.74 96.23 0.16 Allowed 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.329 2.02 . . . . 0.0 110.893 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -91.45 6.72 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.669 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 112' ' ' ASP . . . -73.23 80.31 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -138.91 -161.57 1.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.557 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.6 143.73 26.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.482 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' A' ' 113' ' ' PHE . 15.2 tt -155.03 162.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.66 173.88 10.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.675 0.274 . . . . 0.0 110.616 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.7 129.22 46.57 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.206 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t70 74.66 6.61 4.47 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.533 0.733 . . . . 0.0 111.811 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -83.17 152.15 25.38 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 24.9 m -119.72 134.95 55.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.8 t -123.38 135.3 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.209 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.43 117.13 26.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 HG12 HG11 ' A' ' 19' ' ' VAL . 22.2 mt -108.01 104.99 17.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.76 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 133.17 34.16 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.708 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 16' ' ' SER . 4.1 mm? -120.63 131.1 54.44 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.54 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' HG2' ' A' ' 79' ' ' LYS . 9.7 tt0 -136.32 112.47 9.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.035 0.445 . . . . 0.0 109.887 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 36.4 mt -101.69 84.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -65.5 110.04 3.87 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.325 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -80.7 126.53 5.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.521 2.148 . . . . 0.0 112.914 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.0 t -80.43 -36.14 34.08 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.66 108.36 0.54 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.457 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -104.04 109.03 20.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -100.13 172.67 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.64 133.87 29.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.89 -21.03 43.53 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -81.96 87.87 6.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.6 p -104.05 -29.07 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 68.1 143.92 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.984 0.897 . . . . 0.0 112.457 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 74' ' ' LEU . 28.1 m -140.36 133.36 29.35 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.135 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -107.2 120.18 41.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 49' ' ' ARG . 37.8 ttp-105 -113.78 128.96 56.62 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.662 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 45.9 t80 -104.26 137.45 42.16 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.308 -177.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -140.09 143.92 36.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.623 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 69' ' ' PRO . 3.7 pt20 -134.11 105.47 11.38 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 121.196 0.522 . . . . 0.0 110.701 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -81.94 -84.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.806 2.337 . . . . 0.0 111.286 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -104.29 89.92 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.291 0.567 . . . . 0.0 109.471 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.4 94.72 0.1 Allowed Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' HB3' ' HB3' ' A' ' 88' ' ' SER . 87.1 tttt -99.92 133.09 44.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.951 0.405 . . . . 0.0 110.337 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.41 169.15 41.89 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.834 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.0 m -100.98 109.31 21.21 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 82' ' ' LEU . 33.1 tp -100.52 105.26 16.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.741 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HB3' HG22 ' A' ' 66' ' ' VAL . 22.5 pttp -113.32 148.53 35.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.85 -177.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 69.0 mtm -93.39 -179.9 5.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' OE2' ' HD2' ' A' ' 81' ' ' ARG . 51.1 mt-10 -69.82 -22.57 63.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.44 -14.76 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -9.57 76.25 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -69.65 113.03 6.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.544 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 60' ' ' LYS . 51.5 t -78.91 130.23 36.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 HD23 ' A' ' 59' ' ' LEU . 84.3 mt -74.93 146.56 41.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.913 ' HD2' ' HD2' ' A' ' 69' ' ' PRO . 24.2 tptm -108.81 126.67 28.91 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.846 -177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.913 ' HD2' ' HD2' ' A' ' 68' ' ' LYS . 38.8 Cg_endo -67.35 67.43 0.69 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.182 2.588 . . . . 0.0 113.683 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 3.2 p-10 161.51 -22.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.954 0.901 . . . . 0.0 110.279 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.14 156.34 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.745 -172.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -110.23 131.14 55.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -120.68 110.03 15.92 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 2.4 pt? -76.0 130.94 39.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.354 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.8 mt -126.52 103.44 7.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.64 -176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.28 -27.57 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.706 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 31.6 tt0 -85.14 133.27 34.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 42.6 m95 -84.22 1.19 45.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.739 -172.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HG2' ' HG3' ' A' ' 34' ' ' GLU . 84.9 mttt -122.43 132.55 54.41 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HZ ' ' HE1' ' A' ' 99' ' ' PHE . 48.3 p90 -163.81 161.79 23.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.396 0.617 . . . . 0.0 112.223 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.528 ' HD2' ' OE2' ' A' ' 62' ' ' GLU . 62.7 mtt85 -113.37 145.93 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.371 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 59' ' ' LEU . 87.5 mt -121.36 139.57 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.594 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.16 111.74 20.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 76.9 t80 -106.59 113.15 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.645 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.9 m -104.55 108.34 19.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.869 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.9 m -64.28 127.09 29.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.036 0.446 . . . . 0.0 111.515 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -102.84 -25.12 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.069 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 45.0 p -88.8 119.8 29.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.102 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -72.58 -18.79 61.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.319 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -54.34 118.69 4.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.277 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.95 79.05 0.64 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.522 0.514 . . . . 0.0 112.221 -174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 173.48 83.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.808 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.852 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 24.9 mp0 -99.56 99.64 10.55 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.164 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -108.86 117.56 34.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 28.8 pt -114.42 144.21 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.26 113.1 26.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.545 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -101.86 109.93 21.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -99.7 110.98 23.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' HE1' ' HZ ' ' A' ' 80' ' ' PHE . 91.6 m-85 -98.69 113.57 25.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.907 ' HG2' HD13 ' A' ' 106' ' ' LEU . 29.4 mt-10 -113.38 163.66 14.57 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -145.99 152.51 39.5 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.741 169.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.52 -23.38 46.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.29 -177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -104.27 -46.71 4.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.164 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.31 -111.39 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.384 -173.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -134.42 -163.83 1.42 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.227 0.537 . . . . 0.0 112.413 -168.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.907 HD13 ' HG2' ' A' ' 100' ' ' GLU . 28.3 tp -127.63 128.62 45.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.142 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -131.62 127.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.948 0.404 . . . . 0.0 110.535 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.676 ' NE2' ' H ' ' A' ' 108' ' ' GLN . 0.6 OUTLIER -109.23 134.16 52.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.573 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -127.61 117.54 22.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.36 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.8 p -100.24 124.81 46.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.03 136.01 50.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 20' ' ' ALA . 8.7 m-20 -110.07 142.81 41.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.852 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 71.5 m-85 -125.14 150.25 47.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.47 HD22 ' C ' ' A' ' 114' ' ' ASN . 0.2 OUTLIER 76.22 -65.9 0.29 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.205 0.94 . . . . 0.0 111.49 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.91 138.6 6.6 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.096 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -79.07 83.74 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.532 0.206 . . . . 0.0 110.891 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 88.2 mt 57.46 39.01 28.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -126.64 145.33 50.6 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.3 m80 65.12 32.54 10.15 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.659 0.6 . . . . 0.0 110.977 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.91 100.44 7.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.777 0.799 . . . . 0.0 111.286 -177.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -115.78 -50.88 2.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.196 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 10.3 m170 60.17 -173.74 0.12 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.759 173.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 177.54 11.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.689 173.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.78 178.394 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.6 t30 68.69 -177.29 0.21 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.578 0.549 . . . . 0.0 110.474 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 68.01 6.24 5.06 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.192 0.597 . . . . 0.0 111.627 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.0 mt -86.93 47.49 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.184 0.516 . . . . 0.0 110.961 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -84.77 77.86 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pp -136.94 163.21 33.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.752 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.546 ' H ' ' NE2' ' A' ' 7' ' ' GLN . 0.6 OUTLIER -131.05 117.79 19.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 -179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -56.42 3.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -129.37 -37.63 1.62 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.46 -1.245 . . . . 0.0 107.825 167.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 38' ' ' SER . 34.6 t80 59.62 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.077 0 CA-C-N 114.24 -1.346 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.14 142.81 34.78 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.123 1.882 . . . . 0.0 111.954 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -89.11 164.78 14.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 ' HB ' ' HG3' ' A' ' 36' ' ' LYS . 22.5 m -147.78 128.43 14.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.054 0.454 . . . . 0.0 111.393 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.24 112.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.04 125.87 50.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.954 0.406 . . . . 0.0 110.131 -173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 32' ' ' ARG . 16.5 t -155.31 170.39 22.0 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.9 mmt -100.33 145.34 30.1 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.483 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.8 106.57 0.38 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.713 2.275 . . . . 0.0 111.502 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 m -126.21 4.11 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.109 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.57 86.89 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.827 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -147.16 -79.7 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.351 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.05 156.64 44.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.702 0.287 . . . . 0.0 110.429 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.28 141.98 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.23 176.31 6.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.747 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 89' ' ' ASP . . . -78.49 134.61 14.39 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.053 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t70 62.39 46.93 5.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 122.097 0.951 . . . . 0.0 110.026 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -119.19 126.62 52.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.823 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.2 m -95.03 115.06 26.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.537 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.36 137.78 29.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.399 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.1 124.93 33.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 110.471 177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.18 101.43 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 16' ' ' SER . 66.6 ttt-85 -85.51 102.44 13.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.401 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -112.66 130.29 56.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 110.491 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG3' ' HB2' ' A' ' 79' ' ' LYS . 18.0 tt0 -147.48 123.83 10.94 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 56.1 mt -106.95 122.63 61.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 120.912 0.386 . . . . 0.0 110.515 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HG3' ' HB ' ' A' ' 13' ' ' THR . 1.6 ptpp? -105.25 104.39 47.2 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 175.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.21 164.55 17.18 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.083 2.522 . . . . 0.0 113.348 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -85.27 -39.93 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.456 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.9 57.18 3.92 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.518 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 68.39 -73.14 0.09 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.56 0.744 . . . . 0.0 112.103 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -177.33 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 0.0 110.509 -171.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.5 tt -77.06 120.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.032 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.65 -164.14 18.77 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 170.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.4 p -92.27 -88.71 0.2 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 118.011 0.905 . . . . 0.0 110.238 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -133.27 90.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 99' ' ' PHE . 0.7 OUTLIER -80.87 101.29 9.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.485 -174.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -110.44 141.62 43.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.422 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -107.3 130.3 54.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 42.3 mtm180 -112.12 132.49 54.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.145 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 38.8 t80 -104.76 123.27 47.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.41 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -133.11 141.53 48.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 95' ' ' ILE . 48.4 mt-30 -126.19 95.27 39.37 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.86 0.362 . . . . 0.0 110.526 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 94' ' ' THR . 93.1 Cg_endo -83.55 -1.39 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.624 2.216 . . . . 0.0 112.628 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 22.7 t70 -162.45 126.52 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.025 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 92.52 -179.01 40.13 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.546 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.17 132.71 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 173.69 46.39 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.214 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.9 m -130.91 114.24 15.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.908 0.385 . . . . 0.0 110.557 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 82' ' ' LEU . 58.1 tp -94.12 114.0 26.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HG2' HG22 ' A' ' 66' ' ' VAL . 6.7 mtmp? -106.81 133.46 51.44 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.939 -173.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.471 ' HA ' HD23 ' A' ' 82' ' ' LEU . 86.2 mtp -69.03 97.86 0.91 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 172.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HD2' ' A' ' 83' ' ' TYR . 15.5 mm-40 53.51 -102.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.936 0.773 . . . . 0.0 109.812 -169.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.51 20.16 2.03 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.73 0.776 . . . . 0.0 109.212 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.32 -46.14 1.6 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.51 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -137.26 121.97 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.986 0.393 . . . . 0.0 111.606 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 60' ' ' LYS . 57.0 t -84.02 126.63 40.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.39 140.66 44.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.13 0.491 . . . . 0.0 111.135 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 68' ' ' LYS . 51.7 mtpt -110.46 154.78 42.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.606 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 50.1 Cg_exo -54.61 117.19 3.7 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.069 2.512 . . . . 0.0 112.672 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 65.98 18.85 11.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.471 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -91.95 128.93 37.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 49' ' ' ARG . 50.8 mtt180 -99.82 133.79 43.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 112.28 -172.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.5 136.05 54.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.851 170.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -79.94 121.68 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.496 -178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -121.92 102.68 8.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.84 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -86.56 1.48 51.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.68 0.753 . . . . 0.0 109.106 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.646 ' HG3' ' H ' ' A' ' 79' ' ' LYS . 8.3 tp10 -104.74 132.6 50.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.954 177.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.448 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 82.1 m95 -95.16 11.07 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.981 0.42 . . . . 0.0 110.644 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -136.18 129.47 31.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.958 -176.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -162.02 154.6 19.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.63 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 81' ' ' ARG . 38.5 mtp-105 -109.42 128.94 55.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD13 HD21 ' A' ' 59' ' ' LEU . 78.4 mt -121.37 140.61 51.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 62' ' ' GLU . 59.6 m-85 -113.2 119.55 38.15 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB2' HD13 ' A' ' 59' ' ' LEU . 68.4 t80 -106.17 111.16 23.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.746 0.308 . . . . 0.0 110.645 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.8 m -92.69 123.69 36.15 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.513 ' HB3' HE22 ' A' ' 93' ' ' GLN . 19.5 p -73.17 121.51 20.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -103.12 5.25 37.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.249 0.547 . . . . 0.0 109.99 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 m -104.92 136.35 44.57 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 7.2 p-10 -91.64 -29.81 16.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -172.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.6 4.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.565 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.55 150.98 26.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.502 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -63.7 151.66 41.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 86' ' ' SER . 20.7 mt-30 -132.66 100.97 5.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 8.6 m -105.81 114.01 27.9 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.592 HG22 ' HG2' ' A' ' 52' ' ' GLN . 34.2 pt -115.45 141.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.842 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -113.89 129.37 56.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -107.15 109.93 21.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.809 174.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 72.0 m-85 -96.74 109.96 22.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.311 . . . . 0.0 111.033 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 97.3 m-85 -99.06 115.1 28.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 173.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.47 131.29 52.88 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.993 0.425 . . . . 0.0 112.122 -172.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -93.4 151.86 19.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.561 171.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.93 -22.82 63.16 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.04 -32.55 71.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.685 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.68 17.04 4.37 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.332 -176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.828 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 94.4 m-20 -86.94 116.02 24.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 178.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.19 115.52 29.51 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 2.1 mp0 -120.44 112.36 18.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -112.83 111.64 22.56 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.285 0.564 . . . . 0.0 110.644 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -98.01 108.74 21.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.96 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -92.34 112.85 24.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.434 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -107.86 107.15 17.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.18 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -100.58 115.01 29.15 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.774 0.797 . . . . 0.0 110.618 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -106.2 146.68 29.98 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.172 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 24.4 t-20 70.27 108.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 124.102 0.876 . . . . 0.0 111.169 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.34 -38.94 6.14 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 117' ' ' LEU . 38.7 ttmt 178.42 -27.98 0.0 OUTLIER 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.861 0.464 . . . . 0.0 110.659 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 94.7 mt 77.27 149.43 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.687 0.795 . . . . 0.0 110.656 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' ' HB3' ' A' ' 121' ' ' HIS . 9.3 tp10 -94.94 149.02 21.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -71.47 -47.6 54.6 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -154.45 119.78 5.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.403 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.56 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 9.0 p80 -118.06 91.27 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.519 0.676 . . . . 0.0 111.717 -173.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -116.85 25.23 10.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.369 173.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -123.83 127.21 47.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.273 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.331 -0.842 . . . . 0.0 109.612 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 60.56 84.13 0.13 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.75 146.03 26.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.74 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -91.2 92.95 8.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.361 -176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -93.68 72.38 4.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.359 173.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 pt -112.08 109.3 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.363 0.601 . . . . 0.0 111.428 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.41 122.45 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.738 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 24.5 mp0 -54.03 -47.06 71.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.271 -175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -117.33 117.43 29.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.218 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HD2' ' HG1' ' A' ' 13' ' ' THR . 19.0 p90 -104.17 105.98 51.46 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 121.207 0.527 . . . . 0.0 110.044 177.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -90.37 -4.15 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.116 2.544 . . . . 0.0 112.571 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -144.55 102.03 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.724 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.7 m -102.12 134.64 45.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.183 -174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.78 105.32 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.42 148.76 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.672 0.273 . . . . 0.0 110.522 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.857 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 13.9 mmt -74.9 139.12 73.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.13 105.73 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.596 2.197 . . . . 0.0 112.019 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.01 164.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.42 129.29 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.521 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.59 -47.37 79.71 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.259 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -121.21 134.52 55.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 110.839 177.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.43 146.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.682 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.85 167.3 11.34 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.14 149.17 38.79 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 66.03 25.4 10.93 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.265 0.555 . . . . 0.0 110.451 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -114.4 140.7 48.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.917 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -118.18 121.95 41.8 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.472 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.32 140.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.789 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' A' ' 81' ' ' ARG . 13.3 pt-20 -94.8 119.38 33.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 110.232 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -95.9 102.65 13.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.396 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -91.3 107.02 18.92 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 34' ' ' GLU . 2.2 tm? -109.74 129.83 55.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -177.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 48.2 mt-10 -124.59 111.83 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.028 0.442 . . . . 0.0 111.248 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 78' ' ' TRP . 59.0 mt -100.45 121.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB2' ' HB ' ' A' ' 13' ' ' THR . 44.7 mttm -118.36 85.55 25.78 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -94.72 161.14 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.968 2.445 . . . . 0.0 112.833 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -82.12 -27.64 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.915 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.57 64.31 3.59 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.76 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -72.68 -18.19 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 110.152 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.85 98.35 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.1 pt -86.51 123.64 39.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.658 0.742 . . . . 0.0 112.212 -170.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.79 56.82 0.71 Allowed Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 t -155.46 152.72 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.222 -0.489 . . . . 0.0 109.923 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.34 83.94 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -72.87 105.75 4.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.88 -176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 100' ' ' GLU . 13.3 m -96.37 133.37 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.844 -172.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 75' ' ' LEU . 57.6 tp -116.37 128.33 55.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.604 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 7.1 ptp85 -149.72 156.04 41.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 36.3 p90 -132.92 148.38 52.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -130.17 140.78 50.72 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.552 ' HG2' HG22 ' A' ' 95' ' ' ILE . 15.2 mt-30 -116.28 104.84 51.53 Favored Pre-proline 0 C--N 1.322 -0.588 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.383 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.81 -37.36 45.66 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.694 2.263 . . . . 0.0 111.869 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -152.11 126.77 9.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.321 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.0 163.29 11.86 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 5.3 tppp? -138.2 133.2 32.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.622 0.711 . . . . 0.0 111.3 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.7 -164.71 24.86 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.8 m -148.96 131.18 15.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.099 0.476 . . . . 0.0 110.432 174.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 HD13 ' A' ' 82' ' ' LEU . 26.9 tp -99.47 124.34 44.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.109 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 3.1 mppt? -124.69 166.88 15.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.519 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.8 mtm -109.85 -168.49 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.094 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.11 -15.94 60.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.118 0.485 . . . . 0.0 110.709 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -103.77 19.72 19.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.115 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.27 -117.46 5.58 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m 58.77 91.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 0.0 111.354 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.83 109.76 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.485 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.573 ' HB2' ' HE1' ' A' ' 50' ' ' TYR . 47.6 mt -73.72 140.87 46.28 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -112.7 149.59 41.42 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.519 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 12.6 Cg_endo -57.04 126.24 21.56 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.851 2.367 . . . . 0.0 112.629 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 58.9 t30 72.66 -12.79 0.71 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.537 0.735 . . . . 0.0 111.847 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -71.54 139.94 49.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -96.25 110.86 23.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.107 -172.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 67' ' ' LEU . 58.8 m-85 -107.7 157.86 17.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.791 172.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 tp -96.41 127.08 42.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 48' ' ' LEU . 24.4 tp -79.35 139.35 37.8 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -88.55 -60.35 1.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.944 0.402 . . . . 0.0 110.694 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -120.12 161.68 20.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.796 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.579 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 73.0 m95 -86.57 -25.65 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.418 -177.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 33.9 tttp -101.01 123.86 45.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -158.24 176.05 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 112.949 -173.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 30' ' ' GLU . 39.8 ttt180 -134.05 133.84 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.481 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.584 HD13 HD21 ' A' ' 59' ' ' LEU . 74.5 mt -124.95 139.57 53.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.46 111.29 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -107.3 117.33 33.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m -110.09 132.3 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.613 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 p -82.78 128.0 33.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.382 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -115.33 -23.83 8.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.604 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.5 m -152.69 101.35 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.095 0.474 . . . . 0.0 110.089 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -93.31 131.59 38.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.473 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -112.29 31.05 6.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.219 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' ' ND2' ' A' ' 114' ' ' ASN . 49.8 mt-10 63.36 23.92 13.97 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.511 -170.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -177.41 126.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.134 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.15 115.07 12.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.812 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -107.86 120.08 41.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.552 HG22 ' HG2' ' A' ' 52' ' ' GLN . 47.0 pt -119.27 128.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.152 0.501 . . . . 0.0 110.573 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 1.1 m-20 -107.26 108.47 19.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.871 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.49 115.82 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 71.0 m-85 -108.35 113.63 26.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.824 0.345 . . . . 0.0 110.789 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.745 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 94.2 m-85 -104.09 119.69 39.48 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.849 176.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 47' ' ' THR . 36.1 mt-10 -105.86 128.45 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.011 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 103' ' ' TRP . 1.6 t70 -118.4 139.98 50.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -78.98 -15.94 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.476 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 89.0 m95 -71.56 -20.33 62.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.923 0.392 . . . . 0.0 110.253 177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.34 26.63 1.97 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.005 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -112.94 141.77 46.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.715 0.293 . . . . 0.0 110.738 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.8 tp -128.18 123.17 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.777 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.745 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 22.4 mt-30 -120.1 111.96 18.52 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.5 110.4 20.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.445 0.64 . . . . 0.0 110.606 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -110.5 108.9 19.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.033 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -100.97 127.69 47.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 110.001 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -113.81 119.15 36.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.577 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.43 111.89 24.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.66 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -105.66 133.74 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 58.2 t30 72.23 -21.54 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.784 0.834 . . . . 0.0 112.246 171.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.06 121.97 8.71 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.708 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -148.31 142.21 25.79 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.631 -0.335 . . . . 0.0 110.224 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.15 155.49 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.046 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -117.64 176.23 5.28 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.318 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -109.23 12.46 24.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 166.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -68.59 -76.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.93 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -103.36 24.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -115.35 59.6 0.71 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -103.71 -4.48 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.013 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.489 174.033 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.54 HD22 ' H ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -125.91 -0.63 7.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 2.3 mp0 -75.12 -67.89 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.347 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt 60.76 25.77 15.59 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.95 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.3 79.51 7.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.99 0.9 . . . . 0.0 110.418 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -85.91 -32.34 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.957 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.19 128.06 35.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.986 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -79.41 -28.14 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -88.5 138.21 31.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.47 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' HE1' ' H ' ' A' ' 39' ' ' GLY . 27.1 t80 -137.01 86.27 20.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -94.04 -158.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.383 2.722 . . . . 0.0 113.015 -176.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -88.15 132.26 34.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.06 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.4 m -148.71 132.92 17.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.878 0.37 . . . . 0.0 111.185 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.85 109.26 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.345 0.593 . . . . 0.0 109.815 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.848 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 6.9 tp10 -105.02 131.85 52.01 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.059 178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.37 133.6 19.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.107 0.48 . . . . 0.0 110.711 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.554 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 12.1 tmm? -85.58 124.0 71.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.306 177.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.65 106.97 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.248 2.632 . . . . 0.0 112.842 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.599 HG11 HG12 ' A' ' 31' ' ' ILE . 27.2 m -84.88 164.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.171 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.52 122.63 27.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.405 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.35 -30.71 62.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.88 89.68 6.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 0.0 110.639 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.2 tt -107.23 142.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.787 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.06 -178.17 3.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.904 0.383 . . . . 0.0 111.457 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' H ' ' HD3' ' A' ' 116' ' ' LYS . . . -73.52 158.48 52.57 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.242 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 45.75 35.2 2.1 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.002 0.921 . . . . 0.0 112.232 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -125.59 144.79 50.42 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.182 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 m -123.38 133.03 54.14 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.939 0.399 . . . . 0.0 111.261 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.29 154.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.274 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.5 pt-20 -109.92 122.44 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 HG12 HG11 ' A' ' 19' ' ' VAL . 46.5 mt -95.25 100.37 10.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.811 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 98.6 mtt180 -79.63 118.05 21.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.3 tp -134.18 134.89 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 111.965 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.848 ' HB2' ' HB3' ' A' ' 15' ' ' GLU . 30.7 mt-10 -130.35 111.81 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.909 171.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.488 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 59.4 mt -112.59 115.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.44 90.9 12.93 Favored Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 78.0 Cg_endo -94.13 42.91 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.397 2.731 . . . . 0.0 111.985 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HA ' ' HD1' ' A' ' 10' ' ' TYR . 32.4 t 65.48 78.79 0.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.859 -174.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.524 ' H ' ' HE1' ' A' ' 10' ' ' TYR . . . -77.17 6.19 44.78 Favored Glycine 0 C--N 1.332 0.326 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.891 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -86.39 -10.64 53.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.12 0.486 . . . . 0.0 110.331 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -128.33 137.44 51.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.129 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -98.46 103.82 15.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.94 -69.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.917 -0.583 . . . . 0.0 113.175 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 102' ' ' ASN . 93.8 m -143.18 -68.57 0.34 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.588 -0.36 . . . . 0.0 111.866 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.4 -25.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.517 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 63.25 94.71 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.611 0.719 . . . . 0.0 111.523 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -114.3 141.58 47.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.629 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.6 tp -111.92 115.77 29.51 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.61 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 24.9 ttm-85 -108.11 124.03 49.61 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 74.0 t80 -106.93 140.11 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.433 ' HB3' ' HB3' ' A' ' 96' ' ' ASP . 54.1 t80 -140.88 148.66 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.125 177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -150.85 98.15 3.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.239 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -82.16 -63.11 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 123.023 2.482 . . . . 0.0 112.693 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.09 154.89 18.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 -177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 76.89 -167.04 54.3 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB3' ' OG ' ' A' ' 88' ' ' SER . 43.8 tptt -172.07 130.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.175 0.487 . . . . 0.0 110.049 175.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.68 179.11 40.75 Favored Glycine 0 N--CA 1.44 -1.041 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.7 p -118.02 119.27 34.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.851 0.358 . . . . 0.0 110.69 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 82' ' ' LEU . 40.1 tp -104.17 109.23 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.417 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.18 146.92 29.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.896 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 ptm -102.59 159.11 15.74 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HG2' ' A' ' 81' ' ' ARG . 50.8 mt-10 -53.16 -35.24 59.56 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -167.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.58 -29.63 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.052 0.453 . . . . 0.0 110.233 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.15 2.3 11.06 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.748 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.9 m -75.04 130.01 38.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.037 0.446 . . . . 0.0 110.691 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t -92.73 116.06 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.9 mt -73.38 131.71 42.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.975 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -122.23 127.79 25.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -59.1 136.74 75.02 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.881 2.387 . . . . 0.0 112.497 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 16.9 m120 77.85 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.226 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -127.38 -179.32 4.83 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.599 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -137.81 143.94 41.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.733 0.301 . . . . 0.0 111.32 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -130.63 160.0 35.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.959 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.49 141.01 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.3 pt? -132.87 118.38 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.243 0.544 . . . . 0.0 110.605 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.56 -43.4 15.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.268 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -105.89 135.09 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.125 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -104.64 15.28 28.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.432 -170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 12.3 tmtt? -110.2 124.49 51.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -176.2 177.81 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.036 0.446 . . . . 0.0 110.586 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HG2' ' CG ' ' A' ' 62' ' ' GLU . 11.2 ptp180 -126.94 152.63 46.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 171.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.7 mt -112.66 139.51 48.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.744 0.306 . . . . 0.0 110.724 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -104.98 106.93 17.64 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -103.13 108.27 19.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.382 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 56.0 m -98.9 107.53 19.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.406 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -81.41 111.46 17.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.05 15.67 16.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 56' ' ' LYS . 7.4 m -124.49 -173.99 2.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.82 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 90' ' ' LYS . 14.8 t70 -108.13 -146.51 0.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' O ' ' HA3' ' A' ' 115' ' ' GLY . 52.1 mtmt 70.82 138.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.888 0.875 . . . . 0.0 111.697 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -81.15 15.52 1.88 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.419 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . . . -159.93 133.36 6.99 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.662 0.268 . . . . 0.0 110.8 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.616 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 48.9 mt-30 -130.8 118.16 20.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.363 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.3 m -112.2 116.46 30.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.019 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.5 pt -114.53 134.93 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.923 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 25.6 t0 -116.42 122.29 44.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.918 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.42 108.16 19.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.325 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.61 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 73.3 m-85 -96.99 102.47 14.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.087 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.683 ' HB2' ' HB2' ' A' ' 107' ' ' GLN . 98.4 m-85 -84.11 114.45 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -127.45 132.09 50.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -167.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.574 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 36.9 t70 -158.29 160.58 37.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.46 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 63.9 t30 62.69 -174.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.179 0.514 . . . . 0.0 110.187 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.433 ' H ' ' CG ' ' A' ' 102' ' ' ASN . 5.8 m-90 -94.24 18.57 10.73 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.449 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.78 35.34 0.11 Allowed Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.733 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 86.2 m-20 -125.25 112.98 17.03 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 117.555 0.678 . . . . 0.0 110.524 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 98' ' ' TYR . 55.7 tp -140.63 131.67 26.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.596 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 99' ' ' PHE . 15.8 mm-40 -119.5 111.65 18.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.367 175.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.735 HE22 HG23 ' A' ' 110' ' ' THR . 0.9 OUTLIER -98.29 107.94 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.472 -175.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.9 mt -121.9 109.01 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.735 HG23 HE22 ' A' ' 108' ' ' GLN . 2.0 p -94.15 130.79 40.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.511 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.47 110.63 22.62 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.37 111.21 21.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.809 -176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 93.4 m-85 -111.98 164.76 12.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.743 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 92' ' ' ALA . 18.6 m-80 -111.34 -165.6 1.0 Allowed 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 90' ' ' LYS . . . -128.23 -152.99 7.95 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.577 178.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 25' ' ' GLY . 14.1 pttp -97.3 144.65 26.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.028 0.442 . . . . 0.0 110.467 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.47 136.46 42.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.947 -168.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.22 98.6 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.811 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.68 115.93 7.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.395 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -93.56 -173.68 3.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -76.67 165.67 24.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.244 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.99 111.54 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.203 0.525 . . . . 0.0 111.948 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.07 32.36 0.21 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 169.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.0 t60 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.845 -177.062 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.42 82.08 0.18 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.561 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.64 116.49 25.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.279 -174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD13 ' HG3' ' A' ' 8' ' ' GLN . 92.9 mt 72.87 150.89 0.11 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.92 0.762 . . . . 0.0 111.783 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -96.73 -57.45 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.583 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.5 10.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.469 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 66.03 21.85 11.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.669 0.747 . . . . 0.0 108.992 -174.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG3' HD13 ' A' ' 4' ' ' LEU . 25.5 mt-30 68.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.439 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -117.25 95.35 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.911 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.585 ' HD1' ' HD2' ' A' ' 11' ' ' PRO . 1.6 m-85 -148.75 167.02 13.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.059 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HD1' ' A' ' 10' ' ' TYR . 51.1 Cg_exo -56.46 -26.6 64.2 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.553 2.169 . . . . 0.0 112.861 175.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 20.4 p90 -77.26 141.67 39.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.29 177.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 m -134.86 129.07 33.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 HG12 ' A' ' 35' ' ' ILE . 50.1 t -104.57 112.3 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.973 177.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -121.99 154.31 37.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.035 0.445 . . . . 0.0 111.492 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.3 p -146.7 147.04 30.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.465 177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 25.6 mmt -69.0 127.33 93.14 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 51.8 Cg_exo -55.99 112.6 1.12 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.189 2.593 . . . . 0.0 112.843 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG11 HG12 ' A' ' 31' ' ' ILE . 17.2 m -107.64 145.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.302 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 123.03 27.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 5.4 p-10 -74.4 -26.98 60.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.14 0.495 . . . . 0.0 110.06 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG3' ' HE3' ' A' ' 116' ' ' LYS . 4.4 tm-20 -80.85 101.89 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 tt -140.22 153.7 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.663 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -74.41 166.23 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.58 2.34 87.43 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.438 -176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' SER . 8.5 p-10 -133.18 12.68 4.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.065 0.459 . . . . 0.0 110.387 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.562 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 23.6 tt0 -99.75 151.75 20.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.385 -175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.9 m -117.07 137.72 52.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.1 146.84 28.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 81' ' ' ARG . 45.9 mt-10 -96.32 113.45 25.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG12 HG11 ' A' ' 19' ' ' VAL . 59.4 mt -100.67 100.03 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.943 0.401 . . . . 0.0 110.164 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 15.7 ttt180 -93.01 114.67 27.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.959 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -106.03 130.65 53.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.513 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 43.4 mt-10 -135.11 115.89 13.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.069 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.475 HG12 HG13 ' A' ' 14' ' ' VAL . 61.2 mt -112.19 129.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 42.4 tttp -98.73 103.48 19.33 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 98.2 Cg_endo -85.64 126.2 2.98 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.579 2.186 . . . . 0.0 112.089 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.3 m -154.03 107.8 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.219 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.9 -155.78 26.61 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.624 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.521 HD21 HD12 ' A' ' 42' ' ' ILE . 48.2 t30 -65.13 137.77 57.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.669 0.388 . . . . 0.0 110.459 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.771 ' HA ' ' HB3' ' A' ' 103' ' ' TRP . 42.3 p90 -111.0 26.4 10.75 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 40' ' ' ASN . 63.9 mt -76.94 90.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.822 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.69 75.8 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.032 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -101.6 -103.45 0.26 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.576 -0.367 . . . . 0.0 111.985 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 HG23 ' A' ' 47' ' ' THR . 79.2 t 69.21 -55.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.556 0.742 . . . . 0.0 111.606 -174.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.5 m-85 66.33 77.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.252 0.621 . . . . 0.0 110.845 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.503 HG23 HG12 ' A' ' 45' ' ' VAL . 2.7 p -132.25 132.18 42.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.339 -179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.2 tp -118.67 119.67 35.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.862 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 33.3 ttm-85 -106.24 132.17 52.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.628 178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE2' HD13 ' A' ' 67' ' ' LEU . 20.4 m-85 -104.14 126.49 51.3 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -139.26 135.8 34.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.48 96.3 24.55 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.235 0.54 . . . . 0.0 110.435 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.17 -1.39 3.49 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.1 2.534 . . . . 0.0 112.332 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 32.0 t70 -139.75 114.66 9.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.187 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 92' ' ' ALA . . . 89.93 -162.29 29.91 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.373 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -154.32 146.74 23.97 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.63 ' HA2' ' OE1' ' A' ' 87' ' ' GLN . . . 169.64 -173.8 43.89 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -177.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.8 m -141.63 118.7 11.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.189 0.518 . . . . 0.0 111.331 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 HD13 ' A' ' 82' ' ' LEU . 56.5 tp -95.03 134.22 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.33 176.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -130.3 166.34 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.113 0.482 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 83.6 mtp -90.58 172.81 8.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.945 176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.622 ' HG2' ' HE1' ' A' ' 83' ' ' TYR . 43.1 mt-10 -59.01 -40.31 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -72.68 -24.04 60.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.226 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.12 -11.66 8.16 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.232 -0.985 . . . . 0.0 113.731 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -56.34 126.61 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.239 0.52 . . . . 0.0 111.644 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -81.59 136.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.909 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.525 HD12 ' HG ' ' A' ' 59' ' ' LEU . 30.1 mt -104.61 118.05 35.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.958 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 87.1 tttt -85.14 129.32 56.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 17.1 Cg_exo -67.58 78.17 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.141 2.561 . . . . 0.0 112.38 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 t30 173.42 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.459 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.44 151.44 22.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.482 -171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 14.4 ptt180 -111.66 125.93 54.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.979 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -95.85 139.87 31.43 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 46' ' ' TYR . 56.5 tp -88.58 127.32 35.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.704 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.8 pt? -130.56 -176.6 4.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.425 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.72 -30.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -101.35 154.18 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.849 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . 35.9 m95 -95.4 16.46 16.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -175.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.602 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 6.4 ttpm? -140.71 134.3 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.83 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -164.87 155.77 14.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.429 . . . . 0.0 110.789 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HB3' ' CD ' ' A' ' 62' ' ' GLU . 20.7 ttt180 -109.8 126.93 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD13 HD21 ' A' ' 59' ' ' LEU . 96.2 mt -112.96 149.2 33.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.927 0.394 . . . . 0.0 111.265 -175.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.622 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 61.1 m-85 -118.19 107.51 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.553 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -97.91 103.98 15.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.809 0.338 . . . . 0.0 110.186 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.6 m -94.98 127.19 40.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.249 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 19.8 m -93.83 141.52 28.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.395 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.63 ' OE1' ' HA2' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -149.43 22.38 0.93 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.84 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -119.81 -167.36 1.42 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -171.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.05 161.5 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.415 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -84.78 90.1 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.142 0.496 . . . . 0.0 110.308 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -129.61 -71.48 0.61 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.587 ' O ' ' HA3' ' A' ' 55' ' ' GLY . . . -170.14 97.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.045 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -81.75 81.74 7.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.542 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 15.3 m -105.56 124.42 49.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.462 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 111' ' ' TYR . 18.4 pt -119.46 130.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.127 176.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.41 111.13 23.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 71.6 mt -97.87 113.61 25.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 110.665 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.416 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 95.8 m-85 -96.09 93.42 6.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.791 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -84.55 114.69 22.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -106.68 114.79 29.11 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.716 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 171.06 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.496 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.8 t30 53.98 11.78 0.38 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.031 0.932 . . . . 0.0 111.439 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.771 ' HB3' ' HA ' ' A' ' 41' ' ' PHE . 28.3 m0 56.09 26.68 10.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.119 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.61 -40.75 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.417 -1.373 . . . . 0.0 114.836 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.54 -178.88 7.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 118.011 0.905 . . . . 0.0 112.958 -171.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.95 139.42 30.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.053 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -121.07 111.82 17.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -97.04 109.67 22.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.373 0.606 . . . . 0.0 109.897 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -105.82 112.04 24.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.695 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.5 m -90.79 117.56 29.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.605 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.567 ' HB2' HG13 ' A' ' 95' ' ' ILE . 71.1 m-85 -105.93 102.01 11.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.361 0.6 . . . . 0.0 109.489 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.408 ' HA ' HG23 ' A' ' 94' ' ' THR . 13.1 t70 -98.56 111.42 23.79 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.451 -173.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 21' ' ' ASP . 93.3 m-85 -112.71 160.48 17.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -157.02 158.31 36.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.82 94.04 0.82 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.424 ' HE3' ' HG3' ' A' ' 22' ' ' GLU . 36.5 ttmt -67.51 160.78 26.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -175.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.62 -8.14 56.65 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.289 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.22 146.34 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.282 0.563 . . . . 0.0 110.565 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -93.7 123.77 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.939 -175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -66.55 135.53 54.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -57.85 -54.2 49.61 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.094 0.246 . . . . 0.0 110.536 -173.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -168.3 110.77 0.58 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.343 0.592 . . . . 0.0 111.078 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -84.75 44.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.257 -172.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.23 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -81.11 9.28 6.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.968 0.413 . . . . 0.0 111.222 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 4.0 mp0 -62.95 -34.83 78.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.621 175.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -95.04 -86.96 0.28 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.38 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.29 -49.81 0.65 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.115 0.966 . . . . 0.0 112.696 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.32 115.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.336 0.588 . . . . 0.0 110.123 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -118.51 8.99 12.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.258 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.27 -66.44 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.411 0.624 . . . . 0.0 109.353 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -95.83 84.47 3.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.195 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HD1' ' HB3' ' A' ' 38' ' ' SER . 37.8 t80 -153.19 98.36 2.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.691 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.11 -173.71 0.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.789 2.326 . . . . 0.0 111.994 177.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -66.91 115.68 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -98.87 127.78 44.88 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.45 101.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -103.82 124.87 49.71 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -145.97 152.9 40.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 111.887 -170.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.586 ' CB ' ' HB3' ' A' ' 32' ' ' ARG . 11.1 tpt -80.33 126.93 77.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.378 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 17' ' ' MET . 45.8 Cg_exo -56.05 117.62 4.29 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.73 2.286 . . . . 0.0 111.596 175.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.3 168.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.714 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.9 118.73 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.379 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.05 -44.59 96.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -79.91 107.89 13.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.903 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.76 HG23 ' HB3' ' A' ' 27' ' ' GLU . 40.9 mm -100.6 109.81 26.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.305 0.574 . . . . 0.0 110.499 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.88 89.17 6.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' HA2' ' OD1' ' A' ' 89' ' ' ASP . . . 62.29 -105.94 1.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.96 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 86' ' ' SER . 13.7 t70 -100.94 89.32 3.8 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.76 ' HB3' HG23 ' A' ' 23' ' ' ILE . 8.4 tp10 -107.39 135.34 49.04 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.129 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 m -112.15 114.45 27.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.308 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.9 m -119.02 140.12 44.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.438 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' CD ' HH21 ' A' ' 81' ' ' ARG . 9.2 pt-20 -92.0 126.26 37.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.391 0.615 . . . . 0.0 110.342 177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -92.55 98.61 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' A' ' 17' ' ' MET . 39.4 ttm105 -82.39 112.22 19.15 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.201 -0.909 . . . . 0.0 108.642 176.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.3 tp -134.54 132.57 39.3 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.066 0.46 . . . . 0.0 110.852 -173.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' CB ' ' A' ' 79' ' ' LYS . 28.3 tt0 -144.17 113.78 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.309 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 3.5 mp -85.74 100.07 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 171.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -83.78 112.04 37.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.24 -174.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HB3' ' HZ3' ' A' ' 78' ' ' TRP . 73.1 Cg_endo -90.46 134.76 2.02 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.989 2.459 . . . . 0.0 113.201 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' ' HD1' ' A' ' 10' ' ' TYR . 4.2 p -85.64 11.82 10.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.98 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.44 153.18 17.58 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.688 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -130.42 115.6 17.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.635 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -118.97 -92.01 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -139.18 -66.25 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 109.995 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.51 64.13 0.31 Allowed Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.8 m -76.76 115.44 16.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 p -156.1 -32.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.779 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.4 t80 52.09 -107.63 0.34 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.667 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p -154.42 140.34 18.23 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.121 0.486 . . . . 0.0 112.107 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.85 133.37 51.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 70' ' ' ASN . 8.2 ttp85 -117.31 129.78 56.11 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.03 0.443 . . . . 0.0 110.612 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 53.7 t80 -104.51 139.93 38.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.538 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -137.28 141.58 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.608 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -125.14 91.95 48.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -86.76 -58.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.973 2.448 . . . . 0.0 112.811 -177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -106.17 110.56 22.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.529 -173.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.65 -170.58 13.4 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.258 -0.973 . . . . 0.0 112.591 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -144.38 150.98 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.188 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.19 -176.43 34.39 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.013 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.2 p -130.13 138.67 50.78 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.664 0.232 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.3 tp -118.59 117.91 30.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.089 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.16 148.47 35.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.155 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.7 mtp -85.11 -178.75 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.874 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.16 -30.83 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.064 0.459 . . . . 0.0 111.564 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.57 2.99 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.23 -5.6 84.1 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.6 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.7 m -58.45 122.75 14.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.22 127.89 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.571 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -84.85 112.88 20.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.776 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -88.17 125.56 63.64 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.351 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 31.9 Cg_endo -63.94 83.92 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.4 2.733 . . . . 0.0 113.784 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.572 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 45.5 t-20 167.16 -44.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.966 0.791 . . . . 0.0 109.826 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -91.86 157.66 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.6 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -96.46 147.16 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.53 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -125.81 126.17 44.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 111.984 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tt -99.81 144.39 28.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.065 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' HG ' ' H ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -132.57 -82.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.847 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -171.89 -53.51 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.219 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -128.39 174.48 9.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.153 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.601 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.2 m-90 -89.49 12.57 16.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.025 0.44 . . . . 0.0 110.041 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CB ' ' HG3' ' A' ' 34' ' ' GLU . 39.1 ttpt -103.67 124.2 48.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.606 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -174.32 168.93 3.9 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.324 0.583 . . . . 0.0 111.883 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 30' ' ' GLU . 45.9 mtp180 -123.25 129.3 51.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.528 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 94.5 mt -112.65 139.24 48.42 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 110.495 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -105.53 108.98 20.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.568 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' HD13 ' A' ' 59' ' ' LEU . 63.4 t80 -105.72 121.5 44.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.214 0.531 . . . . 0.0 110.592 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.7 m -93.7 108.5 20.24 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.743 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 18.6 m -92.48 111.95 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.609 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.75 26.23 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.967 -174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -76.89 -24.85 52.55 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' OD1' ' HA2' ' A' ' 25' ' ' GLY . 16.0 t70 68.39 -67.32 0.2 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.796 174.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 4.2 pttt -92.22 -71.56 0.64 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 8.4 pt-20 -80.73 26.05 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -167.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 66.61 177.78 0.23 Allowed 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.534 ' HG2' ' HB2' ' A' ' 113' ' ' PHE . 2.1 pm0 -148.53 127.44 12.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.779 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 m -118.83 119.52 34.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.757 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.639 ' HB ' ' HE1' ' A' ' 50' ' ' TYR . 38.7 pt -114.91 140.59 35.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.845 0.355 . . . . 0.0 111.435 -176.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -112.65 121.03 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.76 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -101.15 106.04 17.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.98 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -89.1 100.5 13.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.453 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 76.9 m-85 -87.03 114.96 24.08 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -115.54 121.22 41.98 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.957 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 41.6 m-20 -122.44 178.01 5.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 112.059 -173.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.68 161.28 28.56 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.207 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 75.6 m95 72.43 -66.38 0.31 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.67 67.6 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.696 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.957 ' HB3' ' HB2' ' A' ' 101' ' ' ASP . 65.9 t30 -122.36 127.52 49.86 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.683 -0.304 . . . . 0.0 110.512 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -132.78 108.43 8.99 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.606 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 18.1 tp60 -120.48 112.22 18.68 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.07 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -99.23 108.79 21.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.979 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.41 108.84 20.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -101.96 120.39 40.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.968 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -106.93 117.8 35.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.435 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.17 112.56 24.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.443 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' GLN . 69.1 m-85 -114.27 140.35 48.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 174.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.416 HD22 ' H ' ' A' ' 114' ' ' ASN . 0.1 OUTLIER -144.23 163.93 32.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.117 -176.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -145.47 -120.16 1.31 Allowed Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 90' ' ' LYS . 35.5 ttpt 56.73 82.47 0.11 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.88 0.472 . . . . 0.0 111.439 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.7 mt 58.56 31.15 20.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.565 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -55.71 121.01 8.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.257 0.551 . . . . 0.0 110.078 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -81.82 111.15 17.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.25 -172.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -84.71 135.64 34.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.027 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -121.26 -81.87 0.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.31 0.576 . . . . 0.0 109.567 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -165.49 112.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.537 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -61.4 131.35 49.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.252 1.232 0 O-C-N 124.355 1.034 . . . . 0.0 109.384 -168.206 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.637 0.256 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 4.4 m-20 63.18 88.56 0.1 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.593 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.05 60.98 3.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 109.92 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.7 mt 57.67 74.8 0.41 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.779 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' OD2' ' HA ' ' A' ' 2' ' ' ASN . 49.6 m-20 -93.03 -13.6 28.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.158 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 pt -87.37 127.3 40.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.783 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -107.15 140.33 40.16 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -82.47 75.24 9.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.303 0.573 . . . . 0.0 110.339 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -102.89 91.23 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.567 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 35.3 m-85 -90.49 -36.49 0.39 Allowed Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 10' ' ' TYR . 28.5 Cg_endo -62.72 81.74 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.753 1.636 . . . . 0.0 114.267 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -103.03 119.57 39.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 167.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 127.91 44.61 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -88.25 116.6 30.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.8 mm-40 -103.55 125.78 50.3 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.0 p -142.73 114.26 7.94 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.802 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 66.6 mtt -76.31 127.05 85.64 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 62.0 Cg_exo -51.59 115.73 2.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.29 2.66 . . . . 0.0 113.384 -172.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -72.2 -79.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.766 173.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' H ' HG23 ' A' ' 19' ' ' VAL . . . 51.99 -148.12 0.41 Allowed 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.588 0.555 . . . . 0.0 111.555 172.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t70 76.16 -8.24 1.67 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.956 171.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.984 ' HG3' ' HA ' ' A' ' 114' ' ' ASN . 2.6 mp0 59.91 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.251 0.548 . . . . 0.0 110.905 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD12 HG22 ' A' ' 29' ' ' VAL . 18.1 tt -79.78 135.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.846 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.43 176.08 5.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.775 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 137.19 39.88 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.666 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 64.38 30.46 13.21 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.918 0.866 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 85' ' ' THR . 10.2 tp10 -117.76 155.33 30.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.297 176.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -130.4 119.67 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.27 . . . . 0.0 110.936 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG22 HD12 ' A' ' 23' ' ' ILE . 22.6 m -102.42 148.57 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.802 177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.593 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 37.2 mt-10 -89.78 107.76 19.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.781 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.775 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 76.7 mt -82.59 99.48 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 172.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 19.6 mtm180 -93.55 103.14 15.34 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.665 -177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 15' ' ' GLU . 48.6 tp -129.21 131.39 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.174 0.511 . . . . 0.0 111.388 -171.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.863 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 53.9 mt-10 -131.43 142.52 50.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.905 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.433 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 4.5 mp -114.39 104.85 17.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -98.48 104.37 23.53 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 72.8 Cg_endo -90.32 20.37 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.954 2.436 . . . . 0.0 113.123 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.9 m 71.39 -56.23 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.366 0.666 . . . . 0.0 110.95 -177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -148.84 103.53 0.26 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.29 107.42 4.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.026 0.441 . . . . 0.0 111.182 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -91.37 175.88 6.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.165 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.4 mt -82.5 94.68 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.354 0.597 . . . . 0.0 110.466 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.35 149.96 5.9 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.82 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 m 69.05 99.34 0.06 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.312 0.577 . . . . 0.0 110.399 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 13.6 p -104.67 -18.84 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.104 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 54.3 m-85 67.17 168.19 0.24 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.844 0.831 . . . . 0.0 112.115 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -148.17 133.01 18.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.732 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 97' ' ' LEU . 26.0 tp -109.75 117.91 35.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.167 0.508 . . . . 0.0 110.665 -178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 60.8 mtp180 -108.53 134.06 51.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.841 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' HB2' ' HA ' ' A' ' 69' ' ' PRO . 14.5 m-85 -109.02 131.46 55.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.108 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -142.8 140.86 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.372 0.42 . . . . 0.0 110.343 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 48.7 mt-30 -122.62 95.66 46.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.196 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.38 -57.41 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.388 2.059 . . . . 0.0 113.027 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' HB2' ' H ' ' A' ' 94' ' ' THR . 5.8 m-20 -89.43 -61.78 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.854 0.359 . . . . 0.0 111.913 -174.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 52' ' ' GLN . . . -89.66 167.41 33.64 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.059 -174.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -139.28 130.67 26.96 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . -166.11 -178.92 39.26 Favored Glycine 0 N--CA 1.44 -1.035 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.752 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 85' ' ' THR . 3.7 p -101.49 115.03 29.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.971 0.415 . . . . 0.0 110.502 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 82' ' ' LEU . 38.4 tp -100.46 110.13 22.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.575 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -126.51 157.55 38.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.798 -176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 70.2 mtm -95.24 176.06 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HG2' ' HE2' ' A' ' 83' ' ' TYR . 33.5 mt-10 -67.43 -33.44 75.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.92 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.06 -24.81 63.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.366 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -29.63 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.591 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.6 m -58.88 128.31 36.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -88.18 130.71 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.902 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD12 ' HG ' ' A' ' 59' ' ' LEU . 40.5 mt -81.7 148.54 28.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.984 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 27.1 mtpp -102.75 109.36 60.9 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.602 -172.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 50' ' ' TYR . 3.0 Cg_exo -74.69 79.93 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 123.14 2.56 . . . . 0.0 111.07 176.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 3.4 t-20 163.04 -34.25 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.671 -173.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -109.52 -160.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.196 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 22.9 ptt180 -132.37 146.83 52.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.007 -174.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 30.9 m-85 -135.64 121.44 19.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.402 173.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.6 pt? -95.46 129.45 42.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.8 154.21 19.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.0 111.631 -171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.34 -23.4 17.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.325 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -94.02 137.26 33.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.878 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -100.8 -9.29 21.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.539 0.685 . . . . 0.0 109.455 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -125.06 126.21 45.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.671 174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -164.23 166.09 21.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.232 0.539 . . . . 0.0 111.832 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -116.61 139.58 50.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.494 173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.775 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 87.3 mt -112.61 138.41 49.43 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.683 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 69.3 m-85 -111.23 113.58 26.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.701 0.286 . . . . 0.0 110.329 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -105.41 108.53 20.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.151 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 35.4 m -98.85 108.94 21.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.839 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.2 m -67.82 112.92 5.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.41 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 46.3 mt-30 -88.58 -37.38 15.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.174 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -134.29 122.01 22.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -108.73 139.29 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.863 ' HE2' ' HA ' ' A' ' 90' ' ' LYS . 9.6 mmpt? -113.69 -50.6 2.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.615 ' HG2' ' HD3' ' A' ' 116' ' ' LYS . 43.4 tt0 -179.53 -55.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.84 121.5 26.86 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.792 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -95.7 104.72 16.66 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.169 0.509 . . . . 0.0 110.801 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 1.9 m -104.8 128.67 53.04 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.477 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 52' ' ' GLN . 41.0 pt -126.4 142.17 43.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.887 174.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -112.68 118.26 34.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.909 0.385 . . . . 0.0 110.498 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 48' ' ' LEU . 85.0 mt -100.66 108.52 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.15 177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 85.2 m-85 -89.78 99.57 12.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 95.5 m-85 -88.04 118.18 27.43 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 170.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -103.85 123.19 46.66 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.433 0.635 . . . . 0.0 109.513 -177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HB3' ' N ' ' A' ' 105' ' ' ASN . 9.7 t70 -99.58 162.4 13.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.684 -1.144 . . . . 0.0 109.882 -170.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.76 -28.28 20.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.62 0.248 . . . . 0.0 111.047 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 p-90 -125.01 -30.97 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.179 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.9 -5.17 88.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.834 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' N ' ' HB3' ' A' ' 101' ' ' ASP . 14.1 m120 71.06 -67.85 0.24 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.605 0.762 . . . . 0.0 111.989 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.6 tp -142.72 132.5 24.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 0.0 111.693 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 99' ' ' PHE . 82.8 mm-40 -125.04 111.51 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -107.42 123.59 48.61 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.187 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -112.24 110.1 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.0 t -101.7 123.67 46.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 109.99 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -112.12 111.91 23.15 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.656 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -106.74 115.61 30.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.39 0.614 . . . . 0.0 109.832 176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -98.53 151.11 21.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.485 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.984 ' HA ' ' HG3' ' A' ' 22' ' ' GLU . 1.7 m-20 65.92 25.43 11.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.66 123.91 34.35 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.428 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.615 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 7.6 ptmm? -129.98 87.58 2.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.175 0.512 . . . . 0.0 110.794 -178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.4 tp -79.88 99.42 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -91.53 165.91 13.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.287 -173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -121.02 88.49 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.317 0.58 . . . . 0.0 110.295 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -129.45 169.13 15.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -71.44 101.12 2.34 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -129.79 162.73 27.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.976 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -83.58 -73.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.056 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.1 m120 63.25 85.23 0.13 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.786 0.679 . . . . 0.0 110.465 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -99.84 95.96 7.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.89 -60.07 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -169.84 -173.92 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.345 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . 11.4 tp -85.88 12.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.784 0.802 . . . . 0.0 109.595 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -76.73 -12.25 59.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.214 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -70.77 113.62 8.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.941 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.821 ' HG2' ' H ' ' A' ' 10' ' ' TYR . 15.1 tt0 -84.91 -159.54 0.43 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -174.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.821 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 21.4 t80 60.66 68.28 1.35 Allowed Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 123.144 0.578 . . . . 0.0 110.055 -175.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' SER . 3.8 Cg_exo -75.08 -68.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.9 2.4 . . . . 0.0 112.102 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -95.99 145.68 25.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.861 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.5 m -96.14 128.51 43.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.804 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.542 HG11 HD11 ' A' ' 109' ' ' LEU . 53.4 t -102.2 113.11 37.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 21.7 mm-40 -103.7 125.79 50.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.746 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -133.9 122.22 22.83 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.906 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 24.6 mmt -77.18 143.07 69.09 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.384 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 46.2 Cg_exo -56.68 108.87 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.964 2.443 . . . . 0.0 112.428 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.97 13.38 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.4 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.28 23.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.785 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 t70 -65.58 -78.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 26.4 tt0 173.21 159.25 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.849 0.718 . . . . 0.0 109.721 171.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG11 ' A' ' 29' ' ' VAL . 32.3 mt -124.06 156.9 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.696 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -101.61 165.8 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 173.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 89' ' ' ASP . . . -57.01 -32.78 62.98 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.497 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.61 88.89 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 10.0 tp10 -157.94 157.4 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.199 -172.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -128.07 114.94 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG11 HG12 ' A' ' 23' ' ' ILE . 31.5 m -103.28 149.87 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.785 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -100.76 117.03 34.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.26 0.552 . . . . 0.0 110.086 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 64.7 mt -97.33 114.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.845 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -106.5 119.58 39.65 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 80' ' ' PHE . 3.9 pp -138.17 146.59 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.146 0.498 . . . . 0.0 110.897 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 38.6 mt-10 -134.02 112.54 11.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.424 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.56 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 50.8 mt -90.66 100.26 10.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' HE2' ' HG3' ' A' ' 15' ' ' GLU . 67.1 mttm -89.99 103.55 6.64 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 73.8 Cg_endo -82.06 123.89 4.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.59 2.193 . . . . 0.0 112.948 -175.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' ' 11' ' ' PRO . 31.3 t -103.52 105.35 15.58 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.55 71.84 0.67 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -171.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -80.23 88.77 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.065 0.46 . . . . 0.0 112.087 -171.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 44' ' ' THR . 62.8 m-85 -83.27 101.77 11.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.2 tt -69.81 132.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 23.52 39.15 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.013 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -65.99 -33.44 75.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 0.0 111.299 178.533 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t 65.62 88.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.693 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' ' 75' ' ' LEU . 7.2 p90 -97.78 172.76 7.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.035 178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -159.4 145.1 16.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' HB2' HD13 ' A' ' 75' ' ' LEU . 64.5 tp -107.17 122.75 47.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.763 178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 98' ' ' TYR . 5.2 ttp180 -112.42 110.22 20.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 32.7 t80 -104.31 134.84 46.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.388 -174.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HA ' ' HB3' ' A' ' 69' ' ' PRO . 53.7 t80 -154.44 148.42 25.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.39 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' HG3' ' A' ' 69' ' ' PRO . 13.2 mt-30 -126.46 98.23 32.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -83.03 5.04 6.67 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.113 2.542 . . . . 0.0 112.634 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.556 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 21.0 t70 -132.97 -76.24 0.49 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.401 -175.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -94.46 -177.19 38.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.178 -177.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.02 134.11 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.636 0.255 . . . . 0.0 110.443 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 87' ' ' GLN . . . -166.12 -177.51 38.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.4 m -111.43 113.06 25.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.705 0.288 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 82' ' ' LEU . 41.2 tp -94.42 103.84 15.81 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 52.5 tttp -104.14 139.28 39.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 15.9 mmt -70.86 162.24 29.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 172.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.17 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.545 0.528 . . . . 0.0 111.95 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 58.42 22.28 9.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.94 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.41 -144.97 5.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.893 -173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 m -58.23 137.01 57.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.297 0.639 . . . . 0.0 112.711 -172.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 46.7 t -91.63 127.52 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.103 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.9 mt -90.41 154.91 19.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.4 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 24.0 pttm -135.44 143.22 44.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.81 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 51' ' ' PHE . 48.9 Cg_exo -56.83 143.68 90.21 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.229 2.619 . . . . 0.0 113.018 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 12.5 t30 79.46 -9.42 1.46 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.585 0.754 . . . . 0.0 110.605 177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -100.08 126.23 46.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -100.27 144.35 29.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.083 0.468 . . . . 0.0 110.951 -173.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -126.6 146.49 50.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 tp -73.56 -2.77 24.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 48' ' ' LEU . 48.6 tp 71.97 145.13 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.92 0.888 . . . . 0.0 111.963 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -76.09 -65.13 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -154.38 -177.65 6.6 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 76.7 m95 -77.58 -35.9 52.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.017 0.437 . . . . 0.0 111.09 -175.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 82.5 tttt -107.53 126.93 53.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.5 p90 -160.89 164.0 31.56 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.423 0.63 . . . . 0.0 111.612 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -123.01 140.71 52.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.649 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 59' ' ' LEU . 68.7 mt -119.95 153.94 35.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.079 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -119.19 107.36 13.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.911 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -96.34 108.6 21.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.439 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.1 m -94.51 119.64 33.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.505 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.409 ' OG ' HG21 ' A' ' 23' ' ' ILE . 61.5 m -78.65 129.65 34.98 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.308 176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' ' HA2' ' A' ' 57' ' ' GLY . 3.8 pt20 -129.1 -14.4 4.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.023 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.23 57.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.977 0.417 . . . . 0.0 111.758 -173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.524 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 9.3 t70 -101.53 125.76 48.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -147.19 7.45 0.9 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.581 0.705 . . . . 0.0 109.217 173.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -155.78 -68.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.407 -176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.92 164.14 35.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.543 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.501 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 50.7 mt-30 -133.11 89.73 2.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.095 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 m -104.15 124.83 49.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.9 0.381 . . . . 0.0 110.324 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.2 pt -114.35 150.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.238 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.53 108.93 14.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.931 0.396 . . . . 0.0 110.159 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.92 109.86 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.772 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 49' ' ' ARG . 74.3 m-85 -96.69 100.31 11.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.161 177.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 98.5 m-85 -91.29 115.77 28.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.754 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -115.68 120.84 40.68 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 102' ' ' ASN . 6.0 p-10 -114.01 -104.37 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.559 -174.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' HB3' ' ND2' ' A' ' 105' ' ' ASN . 44.7 t30 -68.26 117.55 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -37.66 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.296 0.998 . . . . 0.0 112.15 -175.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.93 -32.66 2.85 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.215 -174.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 102' ' ' ASN . 71.7 m-20 -88.77 121.05 30.74 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.799 0.333 . . . . 0.0 110.687 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.8 tp -123.43 127.78 48.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 6.3 tp-100 -120.57 111.89 18.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -101.1 109.3 21.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 -177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.542 HD11 HG11 ' A' ' 14' ' ' VAL . 89.6 mt -112.45 112.49 24.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.095 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.5 t -106.27 139.87 40.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.984 0.421 . . . . 0.0 110.008 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 94' ' ' THR . 91.8 m-85 -127.37 121.51 31.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.897 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.64 110.59 22.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.192 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -114.81 169.61 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.441 HD22 ' C ' ' A' ' 114' ' ' ASN . 0.3 OUTLIER -170.74 151.87 3.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 177.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.51 59.18 0.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.92 175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.87 18.01 22.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 117' ' ' LEU . 21.6 mt -102.34 -46.16 4.88 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.474 174.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.24 91.13 6.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.295 0.569 . . . . 0.0 111.756 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -74.29 109.61 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.519 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -54.25 103.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.01 -176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -79.63 54.52 1.8 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.296 0.569 . . . . 0.0 111.832 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -172.7 128.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.71 111.81 9.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.33 -0.843 . . . . 0.0 109.693 177.1 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -70.79 135.15 47.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.141 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.618 ' HG2' HD12 ' A' ' 4' ' ' LEU . 1.1 pm0 -77.07 -13.9 59.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.871 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 3' ' ' GLU . 6.6 mp -87.3 98.23 11.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -59.81 151.81 24.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.1 mp -61.4 138.09 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.59 151.94 23.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.029 0.442 . . . . 0.0 111.298 -172.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.64 -173.35 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.896 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.76 148.04 44.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.294 0.569 . . . . 0.0 111.538 -175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -128.41 82.69 68.05 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -76.93 -63.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 123.142 2.561 . . . . 0.0 112.437 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -152.53 158.41 42.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 m -140.13 129.14 23.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.918 0.389 . . . . 0.0 110.79 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG11 HD11 ' A' ' 109' ' ' LEU . 44.5 t -106.42 103.47 15.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 34' ' ' GLU . 9.3 pt-20 -115.13 141.51 47.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 -175.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 t -145.38 170.42 16.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.67 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 26.9 ptt? -103.64 157.24 34.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 17' ' ' MET . 12.4 Cg_endo -55.87 133.82 60.38 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.708 2.272 . . . . 0.0 112.233 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -110.01 173.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.656 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.28 125.21 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.577 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.64 146.33 25.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.657 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HA ' ' HA ' ' A' ' 114' ' ' ASN . 1.7 mp0 57.48 85.92 0.08 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.086 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 tt -90.11 150.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.0 -167.01 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -30.9 64.93 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.119 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 5.7 m-20 -111.22 -155.67 0.57 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ASP . 40.1 tt0 75.28 137.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.724 0.773 . . . . 0.0 111.788 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.3 m -113.86 123.07 48.9 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.055 175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -100.4 124.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.777 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.0 pt-20 -89.02 136.48 32.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.32 0.581 . . . . 0.0 109.971 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -117.82 107.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.138 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 32' ' ' ARG . 40.0 ttm180 -84.31 126.03 32.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.962 178.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.2 tp -133.64 132.39 40.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.738 ' HG2' ' HB2' ' A' ' 79' ' ' LYS . 50.9 mt-10 -126.76 121.25 31.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.459 175.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 60.8 mt -119.79 98.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 10.2 ptpp? -91.8 118.71 68.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.1 0.476 . . . . 0.0 110.694 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -91.22 103.79 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.058 2.505 . . . . 0.0 111.832 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 m -96.74 2.36 51.9 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.063 0.459 . . . . 0.0 110.653 -177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' ASN . . . -109.7 125.81 7.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 39' ' ' GLY . 47.0 t30 72.44 153.61 0.13 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 122.997 0.519 . . . . 0.0 110.711 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -65.34 156.74 31.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.058 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 pt -76.02 44.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.357 0.598 . . . . 0.0 112.14 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.35 8.39 69.32 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.543 ' HB ' ' OD1' ' A' ' 101' ' ' ASP . 7.7 p -84.04 141.79 30.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.873 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 102' ' ' ASN . 61.1 t -87.77 111.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.405 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 75' ' ' LEU . 24.9 t80 -81.03 112.85 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.705 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.643 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 17.4 m -110.67 137.26 48.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.729 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.2 tp -115.58 130.52 56.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 38.4 mtp180 -130.12 131.35 45.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.64 143.41 33.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 0.0 111.594 -177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.44 143.75 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.184 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -140.28 98.16 7.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.23 -49.82 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.13 2.553 . . . . 0.0 113.161 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -134.05 107.27 7.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.695 0.283 . . . . 0.0 111.159 -172.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.54 174.8 20.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.026 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.591 ' HB2' ' OG ' ' A' ' 88' ' ' SER . 50.4 mtmt -128.05 132.64 49.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.75 -179.22 22.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.832 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 m -143.02 143.64 31.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.861 0.362 . . . . 0.0 110.634 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD21 HD13 ' A' ' 82' ' ' LEU . 60.8 tp -111.74 132.49 54.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.057 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' HB2' ' A' ' 83' ' ' TYR . 21.4 pttm -127.87 176.57 7.47 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 66.2 mtp -89.14 -165.05 1.24 Allowed 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 81' ' ' ARG . 43.0 mt-10 -56.46 97.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.287 0.565 . . . . 0.0 111.997 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 53.91 39.15 30.12 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 114.517 -1.219 . . . . 0.0 111.664 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.99 -178.03 38.84 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.217 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m 58.77 86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.718 0.407 . . . . 0.0 111.287 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.27 130.31 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.919 0.39 . . . . 0.0 110.381 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.1 mt -85.66 149.67 25.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.745 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -128.89 149.86 73.51 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.587 -172.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.46 115.42 2.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.257 1.971 . . . . 0.0 111.921 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 72.62 38.27 0.8 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.459 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -86.76 179.82 6.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.04 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -151.87 95.45 2.1 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.956 0.407 . . . . 0.0 110.322 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -98.06 143.69 28.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.76 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.77 116.36 32.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 46' ' ' TYR . 3.4 mm? -109.2 137.6 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.923 0.392 . . . . 0.0 110.473 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.41 -39.36 22.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.368 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.58 152.79 18.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 53.7 m95 -102.34 1.97 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.548 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.738 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -132.53 139.14 47.76 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' HE2' ' HE2' ' A' ' 46' ' ' TYR . 36.8 p90 -170.19 179.59 3.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 32.8 mtp180 -123.34 145.23 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.986 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD13 HD21 ' A' ' 59' ' ' LEU . 96.0 mt -114.83 158.01 22.49 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.179 177.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.438 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . 22.4 m-85 -125.59 110.29 13.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.842 0.353 . . . . 0.0 110.369 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -97.66 107.36 19.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -94.64 119.83 33.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.242 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 t -76.48 145.76 38.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.015 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -137.74 26.34 2.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.699 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 56' ' ' LYS . 73.4 m -102.39 -167.91 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.548 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -130.34 -53.48 1.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.632 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -148.27 95.07 2.4 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -150.29 150.69 31.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.644 0.259 . . . . 0.0 111.12 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.39 81.92 6.54 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.23 102.74 2.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.076 -169.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.53 HG23 ' HB3' ' A' ' 112' ' ' ASP . 10.6 m -108.98 121.17 44.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.12 -175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.17 151.72 22.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.65 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -120.68 126.58 50.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.995 0.426 . . . . 0.0 110.227 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 85.6 mt -104.44 114.34 28.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.134 178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 80.6 m-85 -100.25 107.09 18.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' O ' HD12 ' A' ' 106' ' ' LEU . 37.1 m-85 -93.63 114.63 27.0 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 27.5 tt0 -111.89 127.01 55.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.234 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 105' ' ' ASN . 18.2 t70 -91.39 163.28 14.25 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.296 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 9.1 t30 -62.39 -33.54 74.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 177.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -97.25 -161.97 0.92 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.158 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -78.88 72.92 2.37 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.31 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 101' ' ' ASP . 28.8 t-20 -149.27 131.8 15.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 99' ' ' PHE . 38.2 tp -150.19 127.84 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -120.66 125.69 48.35 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -115.29 122.37 45.72 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 0.0 111.18 176.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.556 HD11 HG11 ' A' ' 14' ' ' VAL . 83.1 mt -109.52 123.14 48.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.191 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -95.56 123.51 39.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.144 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -120.18 107.63 13.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.302 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' HB3' HG23 ' A' ' 94' ' ' THR . 7.4 p-10 -109.12 120.84 43.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.192 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.59 142.66 33.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.65 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.762 ' HA ' ' HA ' ' A' ' 22' ' ' GLU . 50.3 t30 73.07 101.48 0.07 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.18 0.925 . . . . 0.0 110.896 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -126.22 40.4 1.82 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.109 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -90.13 98.12 11.59 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.29 -66.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.33 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 64.67 -173.56 0.17 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.724 0.64 . . . . 0.0 111.421 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -102.71 118.91 37.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -59.04 109.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.488 0.493 . . . . 0.0 111.06 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -100.18 85.43 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -144.72 16.76 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.735 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -149.27 151.35 34.07 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.408 178.407 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.372 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -61.81 137.03 58.21 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.014 0.435 . . . . 0.0 111.76 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -77.66 78.84 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.189 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.03 -71.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.955 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.98 14.24 1.32 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.16 0.505 . . . . 0.0 109.83 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 pt -73.34 94.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.757 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -85.15 -50.54 7.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.102 175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -99.57 100.79 11.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 171.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -73.54 100.34 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.679 -171.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' OH ' ' HA ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -152.69 100.53 2.74 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 170.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -84.52 51.78 3.35 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.939 2.426 . . . . 0.0 112.951 -176.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -81.45 137.19 35.66 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -107.87 127.69 53.95 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.938 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 35' ' ' ILE . 54.0 t -94.83 110.95 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.899 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.76 125.76 51.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.118 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' HD13 ' A' ' 33' ' ' LEU . 35.4 p -142.96 159.77 41.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.057 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 13.7 mmt -88.22 131.21 43.28 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.713 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 33.6 Cg_exo -61.47 99.99 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.506 2.137 . . . . 0.0 111.406 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 31' ' ' ILE . 17.4 m -93.94 3.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.253 -177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.19 59.42 4.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.508 0.671 . . . . 0.0 110.535 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.23 15.23 14.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 71.48 -174.84 0.17 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 113.788 -1.551 . . . . 0.0 112.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 27' ' ' GLU . 12.5 tt -163.02 152.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.274 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.337 0.589 . . . . 0.0 110.425 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.35 -101.49 0.18 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -78.31 77.58 4.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB2' HD11 ' A' ' 23' ' ' ILE . 56.6 mt-10 -134.12 -171.11 2.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 m -124.36 125.01 43.6 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.766 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG23 HD12 ' A' ' 23' ' ' ILE . 53.2 t -107.71 128.09 63.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.382 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.06 105.74 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG12 HG11 ' A' ' 19' ' ' VAL . 13.9 mt -100.96 112.15 32.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.792 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -92.45 121.12 33.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' SER . 3.8 mm? -119.28 131.0 55.7 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 18.7 tt0 -153.31 112.05 3.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.0 0.428 . . . . 0.0 110.038 169.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' CB ' ' A' ' 78' ' ' TRP . 74.6 mt -90.02 99.64 9.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -78.38 113.62 35.69 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.577 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -87.13 118.15 1.37 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.958 2.439 . . . . 0.0 112.192 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -69.99 -32.28 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 0.0 110.392 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.73 102.27 0.21 Allowed Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.277 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 3.9 t-20 -100.29 96.82 7.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 110.323 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -101.36 104.93 15.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.005 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.9 mt 69.87 95.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 124.067 0.855 . . . . 0.0 110.384 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 175.6 26.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.645 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 t -151.27 178.76 8.92 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 74' ' ' LEU . 21.7 t -80.96 109.39 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' HE1' ' HE1' ' A' ' 103' ' ' TRP . 50.6 m-85 -83.18 149.81 26.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.958 -172.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.639 ' HB ' ' HB3' ' A' ' 100' ' ' GLU . 60.6 m -97.26 132.1 43.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.068 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -121.62 119.49 32.01 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.6 174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 70.0 mtp180 -117.55 135.3 54.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.225 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 52.8 t80 -104.41 128.25 52.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.571 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.84 144.32 33.83 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -130.22 105.5 16.32 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 94' ' ' THR . 42.5 Cg_exo -58.1 -45.55 31.12 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 123.203 2.602 . . . . 0.0 113.005 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -146.47 136.88 23.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.705 0.288 . . . . 0.0 111.066 -177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.13 -177.14 22.28 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.895 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 2.2 mptp? -131.46 135.01 46.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.01 142.7 8.89 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.162 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.6 t -108.86 106.2 16.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 82' ' ' LEU . 42.3 tp -98.83 103.85 15.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.154 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' HB3' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -104.92 146.83 28.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.23 -178.43 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 74.6 mtm -75.75 -179.95 5.06 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.668 ' HA ' ' HE1' ' A' ' 83' ' ' TYR . 62.8 mt-10 -47.24 96.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.734 0.646 . . . . 0.0 111.983 -177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.02 26.42 0.21 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 112.465 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.61 -147.59 7.17 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.53 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -51.9 143.15 13.98 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.697 0.799 . . . . 0.0 112.844 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 ' HB3' ' A' ' 60' ' ' LYS . 61.7 t -90.67 129.65 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.286 172.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 56.5 mt -73.66 111.67 9.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.914 0.388 . . . . 0.0 110.918 -176.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' ASP . 8.2 mtpm? -61.03 119.81 48.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.644 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.529 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 37.3 Cg_endo -68.09 80.89 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.021 2.481 . . . . 0.0 113.258 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 28.5 t-20 153.43 -29.41 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.715 1.206 . . . . 0.0 109.755 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 1.3 t70 -76.19 -175.4 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.476 -167.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -122.02 118.76 29.56 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.32 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 67' ' ' LEU . 81.3 m-85 -109.43 129.86 55.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.502 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 3.7 mm? -103.46 111.76 24.35 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.629 -175.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.7 mt -119.05 140.96 49.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.352 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -87.19 -19.17 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.371 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -130.23 158.9 38.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.722 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 5.3 m-90 -95.99 2.27 53.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.466 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 34.8 ttpt -99.53 124.19 44.48 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.6 -177.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HZ ' ' HE2' ' A' ' 99' ' ' PHE . 25.5 p90 -178.38 163.98 1.66 Allowed 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.633 0.583 . . . . 0.0 110.713 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 mtm-85 -111.3 136.37 50.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.533 ' HB3' HD11 ' A' ' 59' ' ' LEU . 96.4 mt -112.94 140.16 47.99 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.823 0.344 . . . . 0.0 110.284 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.668 ' HE1' ' HA ' ' A' ' 62' ' ' GLU . 84.4 m-85 -115.04 108.87 17.24 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.991 0.424 . . . . 0.0 109.949 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -92.27 111.35 22.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.785 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 m -102.62 112.01 24.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 m -65.57 143.6 57.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.071 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.63 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -116.19 4.32 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.309 0.576 . . . . 0.0 109.637 177.371 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.1 p -132.69 149.49 52.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.255 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -103.68 115.1 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 111.22 -174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 50.11 46.77 24.35 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.873 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -101.18 10.0 41.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.716 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.22 68.73 0.79 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.786 -173.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.456 ' H ' ' NE2' ' A' ' 93' ' ' GLN . 2.1 mp0 -64.13 109.32 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.71 -172.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.566 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 11.0 m -107.4 115.73 30.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.7 pt -116.21 152.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.61 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -129.12 110.89 12.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.86 110.7 21.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.796 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 89.9 m-85 -91.51 100.77 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HE2' ' HZ ' ' A' ' 80' ' ' PHE . 94.2 m-85 -93.38 115.13 27.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 171.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.639 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -111.81 120.1 40.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.004 0.43 . . . . 0.0 109.92 -175.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -101.26 98.3 8.71 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -55.36 -24.84 31.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.928 -173.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.475 ' HE1' ' HE1' ' A' ' 46' ' ' TYR . 7.2 p-90 -105.75 0.67 26.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 0.0 111.26 -178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.46 -92.04 0.76 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.538 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -159.37 -160.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.525 0.202 . . . . 0.0 110.518 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.466 HD13 ' HG2' ' A' ' 100' ' ' GLU . 65.5 tp -113.57 128.31 56.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 111.293 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.61 111.36 17.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.002 175.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -111.64 129.35 56.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.1 mt -113.45 113.17 24.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.298 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.4 m -97.79 126.86 43.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.255 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -132.77 146.51 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.612 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -132.22 135.87 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.197 0.522 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -111.56 133.61 53.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.882 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 63.25 26.27 15.09 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.475 0.655 . . . . 0.0 109.96 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.93 46.89 3.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.666 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.4 tptt 49.39 59.86 4.18 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.501 0.667 . . . . 0.0 111.482 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.768 HD12 ' H ' ' A' ' 119' ' ' HIS . 3.2 pp -93.72 10.62 32.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.391 0.615 . . . . 0.0 110.633 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 70.93 -6.17 1.34 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 114.691 -1.14 . . . . 0.0 113.095 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.768 ' H ' HD12 ' A' ' 117' ' ' LEU . 10.1 p-80 30.33 61.79 0.19 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 174.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -84.62 96.19 9.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.153 0.501 . . . . 0.0 110.748 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -164.92 15.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.045 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -87.79 128.02 35.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 119.814 -0.755 . . . . 0.0 112.075 -172.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -153.02 -36.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.555 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.129 173.001 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptm . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.342 0.115 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' GLU . 3.5 t-20 72.54 125.78 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.739 0.816 . . . . 0.0 110.999 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 43.9 mm-40 69.25 -177.07 0.21 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.607 -175.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -82.86 71.25 9.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.497 0.665 . . . . 0.0 109.673 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -86.87 40.56 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.217 -176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 pt -69.94 85.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.647 0.737 . . . . 0.0 110.386 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -84.57 121.9 28.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.377 -175.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -164.75 145.54 7.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.367 174.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 8.5 tp10 -136.4 35.4 2.73 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 91.7 m-85 75.76 158.54 0.16 Allowed Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.221 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 40.7 Cg_exo -58.41 163.47 10.41 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.257 2.638 . . . . 0.0 113.547 -176.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -144.21 113.81 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.058 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -139.91 128.25 22.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 109' ' ' LEU . 18.1 t -96.19 115.03 34.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.474 -177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -130.57 125.23 33.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.759 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -104.3 145.53 30.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.307 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.466 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 64.5 mtt -77.97 141.68 63.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 47.8 Cg_exo -55.55 109.03 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.938 2.426 . . . . 0.0 112.813 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.87 167.86 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.14 115.19 27.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.635 ' HA ' ' HD1' ' A' ' 113' ' ' PHE . 9.7 p-10 -79.74 -5.25 54.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.179 0.514 . . . . 0.0 110.53 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -87.12 101.26 13.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.133 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.548 HG23 ' HB3' ' A' ' 27' ' ' GLU . 68.8 mt -129.28 114.6 32.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.865 178.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.19 86.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.187 0.518 . . . . 0.0 111.183 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.3 141.52 3.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.704 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 86' ' ' SER . 24.3 t70 65.23 6.27 3.5 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.299 0.571 . . . . 0.0 111.184 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB3' HG23 ' A' ' 23' ' ' ILE . 38.0 tt0 -89.71 148.53 23.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 56.9 m -105.44 119.04 38.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.616 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.5 159.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' OE1' ' HD3' ' A' ' 81' ' ' ARG . 44.9 mt-10 -100.46 125.93 46.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.0 mt -109.7 116.51 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.889 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 53.7 mtt180 -97.9 111.39 23.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.929 0.395 . . . . 0.0 110.301 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HZ ' ' A' ' 99' ' ' PHE . 56.7 tp -112.66 130.74 55.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.619 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -117.88 117.34 29.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.212 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.54 86.17 2.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -84.56 114.64 56.39 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.848 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' PRO . 55.7 Cg_endo -71.85 87.61 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.768 1.645 . . . . 0.0 110.516 174.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -117.53 -69.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.951 -171.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.78 157.67 23.11 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.463 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 64.39 105.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.02 0.528 . . . . 0.0 111.447 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 53.5 p90 -92.18 140.89 29.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.92 0.391 . . . . 0.0 111.276 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.8 mt -124.35 -74.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.726 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.57 -140.15 17.09 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.201 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.536 HG22 HG23 ' A' ' 45' ' ' VAL . 11.6 m 66.45 -91.97 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.041 0.536 . . . . 0.0 110.982 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 44' ' ' THR . 22.0 t -146.8 164.46 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' N ' HG12 ' A' ' 45' ' ' VAL . 37.2 m-85 -138.25 111.71 8.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.228 0.537 . . . . 0.0 110.753 174.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.597 HG22 ' HB3' ' A' ' 74' ' ' LEU . 9.7 p -113.84 140.42 48.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.508 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.74 115.12 29.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.08 0.467 . . . . 0.0 110.695 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HB2' ' HG2' ' A' ' 72' ' ' ARG . 43.1 ttp85 -113.06 115.6 28.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 174.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 12.3 p90 -126.39 140.58 52.38 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.8 -171.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -127.37 150.18 49.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.033 0.444 . . . . 0.0 110.379 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' GLY . 94.2 mt-30 -112.49 86.55 8.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.829 176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.13 -45.15 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.688 2.259 . . . . 0.0 113.793 -173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 37.4 t0 -117.2 -37.1 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.128 0.489 . . . . 0.0 110.752 -175.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.71 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . -110.13 143.13 16.73 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.184 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 87' ' ' GLN . 44.1 mtmt -130.97 146.74 52.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.362 0.601 . . . . 0.0 110.978 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.89 175.94 46.42 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.452 ' HB2' ' HB ' ' A' ' 85' ' ' THR . 19.6 m -99.6 106.62 18.61 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 82' ' ' LEU . 15.2 tp -94.14 115.8 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -119.13 150.18 40.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.699 -176.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 67.6 mtm -102.78 174.32 5.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.548 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.37 -31.36 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.609 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.45 11.5 23.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.488 0.661 . . . . 0.0 110.09 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.88 -143.32 16.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.797 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.1 m 64.99 105.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.56 . . . . 0.0 111.85 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.14 109.54 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 59' ' ' LEU . 70.7 mt -63.61 150.68 43.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.147 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -131.26 123.65 19.81 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.42 -169.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.16 140.03 80.73 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.851 2.367 . . . . 0.0 112.861 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.8 t30 80.03 -11.69 1.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.257 1.023 . . . . 0.0 111.211 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.41 166.82 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 70.7 mtm180 -131.14 123.91 29.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -176.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -123.98 139.99 53.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.899 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.3 pt? -108.18 122.17 46.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.52 138.47 42.65 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 -175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -90.49 -0.88 57.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.411 0.624 . . . . 0.0 109.489 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -90.48 132.44 35.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.004 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -92.84 -22.58 19.21 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 110.183 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -130.27 127.27 39.21 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -151.07 159.05 44.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.256 0.55 . . . . 0.0 111.815 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 30' ' ' GLU . 8.6 ttm180 -103.97 131.63 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.886 178.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 HD21 ' A' ' 59' ' ' LEU . 96.1 mt -112.68 138.62 49.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.957 0.408 . . . . 0.0 110.126 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.96 118.05 35.57 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' THR . 78.7 t80 -106.82 101.11 10.57 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 87.3 m -88.82 108.44 19.52 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 174.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 32.2 m -69.11 114.74 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.195 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.441 ' OE1' ' HE3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -104.89 -16.4 14.88 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.49 176.504 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.6 p -90.03 102.72 15.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.062 0.458 . . . . 0.0 109.933 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.86 -0.88 45.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.451 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -86.09 10.63 13.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.488 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' OE1' ' HG3' ' A' ' 116' ' ' LYS . 48.2 mt-10 62.05 -164.35 0.25 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.293 0.37 . . . . 0.0 110.492 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.66 31.47 20.44 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.41 0.444 . . . . 0.0 110.675 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.71 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 39.4 mt-30 -70.1 85.47 0.54 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.287 -176.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.478 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 13.7 m -104.75 113.62 27.31 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.0 -176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.84 147.71 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -116.18 146.98 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.426 0.631 . . . . 0.0 111.141 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.74 105.69 9.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.288 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB3' HD11 ' A' ' 106' ' ' LEU . 32.7 m-85 -88.29 101.33 13.75 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' HZ ' HD21 ' A' ' 33' ' ' LEU . 81.1 m-85 -80.25 114.57 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -125.44 124.57 41.71 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.555 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 102' ' ' ASN . 8.8 p-10 -67.03 -53.68 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 3.1 t-20 173.15 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.996 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -168.01 12.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.11 -30.73 0.46 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.776 -1.202 . . . . 0.0 113.966 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -132.72 142.47 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.341 0.571 . . . . 0.0 111.213 -176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 98' ' ' TYR . 53.5 tp -146.22 110.14 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.894 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -121.37 118.97 30.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.758 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -95.12 113.11 24.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 14' ' ' VAL . 64.3 mt -93.82 146.58 23.78 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.0 m -138.01 128.14 25.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 0.0 111.019 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -128.29 139.34 52.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.063 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.679 ' HA ' ' O ' ' A' ' 93' ' ' GLN . 5.1 p-10 -131.64 130.73 42.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.635 ' HD1' ' HA ' ' A' ' 21' ' ' ASP . 81.8 m-85 -111.67 153.63 26.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.139 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -150.76 174.0 13.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.189 -176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.13 33.07 3.43 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 58.7 mttp -87.77 21.23 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 111.242 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 tp -70.44 -29.47 66.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.024 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -8.76 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.549 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 10.4 m80 -65.79 -43.94 87.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.4 m80 66.11 -77.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.65 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -84.0 117.05 23.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.05 0.452 . . . . 0.0 110.724 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.81 147.07 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.099 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -80.19 166.96 20.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.331 0.586 . . . . 0.0 111.966 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.5 m80 . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.675 176.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -124.19 5.85 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.461 0.648 . . . . 0.0 109.539 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.63 178.47 6.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.166 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.39 95.91 3.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.272 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -97.63 105.5 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.7 mt -119.85 126.75 75.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.941 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -87.32 100.32 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 60.41 -166.71 0.19 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 65.7 177.47 0.21 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.452 0.47 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 55.76 96.55 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.763 0.665 . . . . 0.0 112.441 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.35 3.43 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.723 2.282 . . . . 0.0 113.155 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 13.5 p90 -93.35 148.75 21.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 36' ' ' LYS . 7.7 t -154.78 135.98 13.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.212 0.529 . . . . 0.0 110.626 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.24 105.92 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.572 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 28.4 mt-10 -105.03 132.1 51.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.838 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -158.82 133.17 7.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.449 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 mpt? -82.96 112.02 34.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 17' ' ' MET . 10.8 Cg_endo -53.51 101.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.256 2.637 . . . . 0.0 113.34 -173.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 HG12 ' A' ' 31' ' ' ILE . 10.9 m -90.76 99.38 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.053 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.78 -161.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.21 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 73.81 -63.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.998 0.811 . . . . 0.0 112.174 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -123.98 146.14 48.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.673 0.273 . . . . 0.0 110.854 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -169.91 142.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' H ' HD13 ' A' ' 23' ' ' ILE . . . -136.69 -179.79 5.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.625 -178.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.25 141.11 29.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.018 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 60.92 34.92 19.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.133 0.492 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.7 136.94 47.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.039 -178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.0 m -108.04 114.88 29.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.5 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 t -100.76 122.93 53.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.765 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -88.52 104.07 16.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.854 0.835 . . . . 0.0 110.93 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.902 ' HB ' ' HB2' ' A' ' 82' ' ' LEU . 37.1 mt -83.55 105.47 13.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.887 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -90.91 104.13 16.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.715 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.94 129.1 56.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.115 -173.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.882 ' HB2' ' HB2' ' A' ' 15' ' ' GLU . 37.5 mt-10 -137.97 114.93 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' TRP . 69.3 mt -115.23 115.81 50.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.42 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 13' ' ' THR . 39.7 ttmt -93.93 115.7 65.49 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.73 155.95 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 112.816 -177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 12' ' ' PHE . 21.3 t -84.75 65.27 9.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.968 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.04 109.3 0.22 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.134 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -97.73 94.82 7.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.26 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -120.41 -78.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.5 tt -97.42 151.25 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.395 175.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.23 -148.05 16.35 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.07 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 102' ' ' ASN . 14.7 t -136.05 -165.74 1.76 Allowed 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 HD12 ' A' ' 74' ' ' LEU . 39.9 t -84.2 120.47 35.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -55.12 120.11 6.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.093 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m -112.48 137.78 50.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.351 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -132.65 113.91 13.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.179 0.514 . . . . 0.0 110.333 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HG3' ' HB2' ' A' ' 98' ' ' TYR . 12.2 ptm180 -109.59 134.93 51.35 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.503 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 31.5 m-85 -104.7 157.12 17.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.489 -172.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.23 124.89 7.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.081 0.467 . . . . 0.0 110.995 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -116.15 84.45 13.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.54 -3.29 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.573 2.182 . . . . 0.0 112.797 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 94' ' ' THR . 30.5 t70 -138.92 -60.74 0.58 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.994 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA3' ' HB3' ' A' ' 93' ' ' GLN . . . -74.49 171.38 53.15 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.056 179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' SER . 9.2 tppt? -141.47 130.76 23.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.743 -178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.08 -179.89 42.08 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.36 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -107.56 118.4 36.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.859 0.362 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' HG ' HD12 ' A' ' 67' ' ' LEU . 35.1 tp -98.28 116.54 30.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -114.16 161.92 17.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.037 0.446 . . . . 0.0 111.542 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mmm -101.65 -175.1 2.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.44 -31.74 73.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -94.35 7.25 46.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 65' ' ' THR . . . 95.22 -136.93 13.17 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.337 -176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 64' ' ' GLY . 47.4 m 68.13 111.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.304 0.573 . . . . 0.0 111.417 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.55 108.69 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 34.7 mt -71.68 117.23 12.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.579 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 41.3 mtmt -92.21 141.79 25.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.396 -172.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 70' ' ' ASN . 30.3 Cg_exo -61.5 140.6 88.2 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.537 2.158 . . . . 0.0 111.364 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 27.8 t-20 75.29 -10.24 1.27 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.117 0.567 . . . . 0.0 111.127 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -86.95 141.63 28.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.162 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -99.37 111.22 23.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.326 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -104.97 157.87 16.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.713 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD12 HG11 ' A' ' 45' ' ' VAL . 1.7 pt? -128.78 134.5 48.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.016 -176.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -123.73 135.18 53.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.45 -17.19 22.71 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.55 139.28 30.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.068 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.651 ' HB3' ' O ' ' A' ' 35' ' ' ILE . 95.4 m95 -98.23 -15.47 19.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.441 -177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.745 ' HZ3' ' HB3' ' A' ' 34' ' ' GLU . 65.9 mttm -121.35 125.8 47.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -152.64 174.86 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.354 0.597 . . . . 0.0 111.464 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.404 ' HD3' ' OH ' ' A' ' 83' ' ' TYR . 54.6 ttt180 -131.85 129.28 40.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.539 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.902 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 95.3 mt -111.63 146.85 36.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.413 -177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.404 ' OH ' ' HD3' ' A' ' 81' ' ' ARG . 73.7 m-85 -121.97 107.08 11.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -101.39 102.02 12.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.516 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.2 m -95.06 114.73 26.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.936 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 p -68.54 137.9 54.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.234 0.54 . . . . 0.0 111.565 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.16 21.78 13.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.837 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 8.5 t -137.45 157.11 47.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.104 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.75 166.02 21.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.062 -175.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -57.62 111.88 1.26 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.558 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -169.72 167.16 9.57 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HA ' ' HB3' ' A' ' 114' ' ' ASN . . . -62.37 112.68 2.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.503 ' HB3' ' HA3' ' A' ' 55' ' ' GLY . 76.9 mt-30 -122.22 117.8 27.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.072 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 54' ' ' ASP . 10.0 m -105.2 129.43 53.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.909 0.385 . . . . 0.0 111.719 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.7 pt -119.9 147.33 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -128.37 114.12 16.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 108' ' ' GLN . 86.0 mt -101.86 121.75 42.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.777 -175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.674 ' HB2' ' HG3' ' A' ' 49' ' ' ARG . 94.7 m-85 -102.42 102.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.038 0.447 . . . . 0.0 111.081 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -91.66 121.02 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.122 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -107.32 122.75 47.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.13 -78.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.042 -175.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.8 m-80 -150.74 96.52 2.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.614 -176.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.463 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 5.3 m-90 70.49 -59.01 0.54 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.63 0.772 . . . . 0.0 110.939 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.04 -158.31 11.48 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 61.58 69.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.114 0.483 . . . . 0.0 111.047 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 98' ' ' TYR . 47.2 tp -89.96 123.68 34.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.268 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.63 117.47 27.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.687 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 19.3 pt20 -104.8 128.55 52.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.167 0.508 . . . . 0.0 110.932 -177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.4 mt -109.34 109.27 20.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.798 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.7 m -92.92 123.43 36.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.133 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -116.9 112.83 21.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.922 0.391 . . . . 0.0 110.796 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.79 120.95 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.63 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 92' ' ' ALA . 83.0 m-85 -97.67 144.51 27.24 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' A' ' 92' ' ' ALA . 3.2 t-20 73.62 4.43 4.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.852 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 83.77 -117.84 4.54 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.968 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 tttp 69.36 152.22 0.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 111.323 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -95.91 44.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.31 64.1 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.16 0.505 . . . . 0.0 110.095 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -153.76 -177.2 6.23 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -76.41 77.77 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.817 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -67.93 -73.97 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -149.84 -80.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 166.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -135.53 -37.25 0.76 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 165.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.468 171.395 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.429 0.157 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 m120 53.92 50.18 17.37 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -40.62 -69.31 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.067 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.5 mt -137.39 -179.92 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.076 0.465 . . . . 0.0 111.257 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 6' ' ' ILE . 1.8 p-10 -114.9 -82.11 0.61 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.606 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 35.8 pt -143.22 -164.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 70.02 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.71 0.631 . . . . 0.0 111.607 173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -127.34 -168.52 1.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 173.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' HB2' ' H ' ' A' ' 10' ' ' TYR . 15.6 mm-40 -83.01 -95.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' H ' ' HB2' ' A' ' 9' ' ' GLU . 72.7 m-85 42.97 78.53 0.38 Allowed Pre-proline 0 N--CA 1.47 0.57 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -82.17 5.72 6.16 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.432 2.088 . . . . 0.0 112.64 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -161.62 164.91 29.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.989 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -126.4 130.36 50.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.429 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 HG12 ' A' ' 35' ' ' ILE . 60.6 t -112.56 126.42 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.86 0.362 . . . . 0.0 110.671 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.36 125.54 51.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -121.2 115.46 23.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.86 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 1.8 mpt? -85.44 125.11 70.54 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.54 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 17' ' ' MET . 52.2 Cg_exo -55.29 149.26 46.56 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.321 2.681 . . . . 0.0 112.888 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 31' ' ' ILE . 33.2 m -112.26 174.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.905 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.32 116.76 18.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.53 -32.01 63.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.108 0.48 . . . . 0.0 111.109 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 6.9 pt-20 -90.88 114.5 26.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.663 -174.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -107.9 129.96 61.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.576 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.24 -67.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.31 -63.73 0.02 OUTLIER Glycine 0 C--O 1.228 -0.225 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.919 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -101.58 22.29 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.43 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.61 135.67 57.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.384 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 62.4 m -111.08 112.2 23.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 113' ' ' PHE . 16.4 m -103.03 157.08 5.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -110.5 119.44 39.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.494 HG12 HG11 ' A' ' 19' ' ' VAL . 25.7 mt -111.32 116.16 51.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.53 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.59 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 99.1 mtt180 -104.66 127.69 52.5 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.352 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -133.36 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 87.6 mt-10 -143.36 130.66 20.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' HB ' ' HE3' ' A' ' 78' ' ' TRP . 62.0 mt -125.04 137.13 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.939 0.4 . . . . 0.0 111.332 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.72 103.51 55.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -82.73 127.12 4.79 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.186 1.924 . . . . 0.0 111.761 175.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.4 t -88.17 90.19 8.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.73 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 126.63 1.52 Allowed Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.733 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -72.97 -34.49 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.328 0.585 . . . . 0.0 109.942 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.64 138.32 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.015 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -115.25 105.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.164 0.507 . . . . 0.0 110.249 177.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.49 45.41 1.31 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.522 -177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 HG21 ' HA ' ' A' ' 102' ' ' ASN . 8.1 t -160.22 176.45 11.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' CZ2' ' A' ' 103' ' ' TRP . 59.8 t -117.79 111.47 34.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.926 0.393 . . . . 0.0 110.289 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -83.39 126.63 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.997 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -119.48 141.0 49.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.995 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.7 tp -117.19 120.88 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.235 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 98' ' ' TYR . 58.1 mtt180 -108.76 141.71 40.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' O ' ' HA ' ' A' ' 69' ' ' PRO . 33.0 t80 -105.12 139.2 40.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 177.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -151.32 146.83 26.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.774 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' HG22 ' A' ' 95' ' ' ILE . 21.3 mt-30 -134.0 113.34 12.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.3 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.493 ' HD2' ' O ' ' A' ' 94' ' ' THR . 28.0 Cg_endo -65.09 -30.36 56.02 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.586 2.191 . . . . 0.0 111.756 173.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.23 -174.75 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 93' ' ' GLN . . . 81.1 137.11 2.02 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.037 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -112.81 133.8 54.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.893 0.377 . . . . 0.0 109.999 179.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' A' ' 87' ' ' GLN . . . 161.83 167.89 22.94 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 m -118.14 122.56 43.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.959 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 84' ' ' TYR . 45.9 tp -95.63 115.15 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HG2' HG22 ' A' ' 66' ' ' VAL . 2.8 mtpm? -114.48 142.02 46.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.275 0.56 . . . . 0.0 111.298 -176.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.664 ' HB2' ' HB ' ' A' ' 65' ' ' THR . 86.5 mtp -81.65 110.03 16.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.271 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 57.19 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 O-C-N 124.198 0.936 . . . . 0.0 112.813 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -125.55 -28.75 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.07 -61.48 0.06 OUTLIER Glycine 0 CA--C 1.518 0.237 0 C-N-CA 119.083 -1.532 . . . . 0.0 114.923 -169.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.664 ' HB ' ' HB2' ' A' ' 61' ' ' MET . 26.5 m -54.16 109.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -170.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG22 ' HG2' ' A' ' 60' ' ' LYS . 40.3 t -84.25 133.33 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.733 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.6 mt -90.95 134.9 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 174.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 8.9 mtmt -124.18 138.74 31.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.124 -176.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 16.1 Cg_exo -68.0 79.59 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.397 2.731 . . . . 0.0 112.664 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 156.25 -33.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.423 1.089 . . . . 0.0 109.1 -175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' HB2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -70.57 143.15 51.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.446 -170.447 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -112.08 115.05 28.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.853 -177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -111.62 150.42 30.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.264 177.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.66 142.16 32.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.231 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.78 89.88 2.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.123 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.17 -43.45 16.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.538 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG2' ' H ' ' A' ' 79' ' ' LYS . 32.4 tt0 -122.2 139.34 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.084 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.61 ' HE3' ' HB ' ' A' ' 35' ' ' ILE . 77.2 m95 -98.76 9.38 43.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 111.171 -174.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 52.3 tttm -128.97 123.41 32.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -160.71 160.0 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.621 0.724 . . . . 0.0 112.235 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -124.01 128.92 50.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.577 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' A' ' 59' ' ' LEU . 68.5 mt -112.3 142.12 45.19 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.341 -176.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.43 112.66 19.68 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 59' ' ' LEU . 88.7 t80 -97.26 105.74 17.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.498 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.5 m -89.59 107.88 19.34 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.5 p -75.95 145.77 40.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.505 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HG3' ' HA2' ' A' ' 57' ' ' GLY . 41.6 mt-30 -125.33 24.63 7.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 20.6 t -138.19 140.79 39.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.638 -177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -96.54 -5.52 39.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.596 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -76.51 136.76 39.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.7 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.51 61.66 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.989 -175.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.2 79.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.271 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 28.0 mt-30 -122.94 103.4 8.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.06 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.493 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 45.4 m -118.71 125.93 50.78 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.411 HG22 ' HG2' ' A' ' 52' ' ' GLN . 43.8 pt -116.08 146.42 20.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.823 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -132.56 124.19 27.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.02 0.438 . . . . 0.0 109.999 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.82 112.47 24.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.105 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . 68.5 m-85 -91.82 99.0 11.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 107' ' ' GLN . 89.6 m-85 -90.86 130.95 36.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 175.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -106.84 119.97 40.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . 27.4 m-20 -115.2 117.53 30.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.023 -174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.449 ' HA ' HG21 ' A' ' 44' ' ' THR . 5.0 m-20 59.89 17.73 6.81 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.243 0.34 . . . . 0.0 110.964 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.428 ' CZ2' ' HB ' ' A' ' 45' ' ' VAL . 74.8 m95 71.61 -42.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.883 0.873 . . . . 0.0 111.702 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.58 -43.36 86.16 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 3.7 m-20 -85.74 134.51 33.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.055 0.455 . . . . 0.0 111.451 -177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 46.7 tp -117.88 122.5 43.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 99' ' ' PHE . 9.9 tt0 -119.73 110.35 16.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.196 0.522 . . . . 0.0 109.97 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -104.68 108.93 20.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.812 -175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.58 111.39 23.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.243 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.6 t -99.03 143.34 29.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -134.08 128.48 34.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.618 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -110.46 123.78 50.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.068 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.701 ' HB2' ' HB2' ' A' ' 93' ' ' GLN . 96.9 m-85 -104.82 142.78 34.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 69.46 86.28 0.13 Allowed 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 124.188 0.93 . . . . 0.0 111.337 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.75 40.39 3.08 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.35 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 72.39 -13.73 0.61 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.626 0.77 . . . . 0.0 112.673 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.0 mt 57.14 -93.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.861 0.465 . . . . 0.0 111.038 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 53.87 77.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.904 0.881 . . . . 0.0 113.263 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.2 137.77 44.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 161.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -61.53 100.75 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.21 0.529 . . . . 0.0 112.31 -163.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 t60 175.9 87.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.969 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -88.73 113.68 24.55 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.279 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -73.71 144.38 45.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.813 179.128 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -76.05 107.86 8.55 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -67.01 -47.35 71.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.03 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.75 100.78 7.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.65 167.29 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt 72.5 83.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.446 0.641 . . . . 0.0 109.832 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.35 27.05 7.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.14 -177.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.08 119.0 33.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -58.53 125.6 24.05 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' SER . 52.3 m-85 -122.19 78.84 43.64 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.528 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -74.33 -41.68 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.54 2.16 . . . . 0.0 110.833 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.651 ' HA ' ' HA ' ' A' ' 37' ' ' PRO . 49.7 p90 -154.48 155.06 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.062 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.9 m -118.65 128.42 54.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.049 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.88 106.05 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.304 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -105.17 123.91 48.63 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.105 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -110.31 127.82 55.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.81 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 22.4 mmt -69.36 150.26 97.15 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.05 108.36 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.593 2.862 . . . . 0.0 114.051 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 174.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.563 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.73 149.84 26.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.891 0.377 . . . . 0.0 111.368 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -77.91 -35.36 50.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.712 0.768 . . . . 0.0 109.834 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -126.07 179.04 5.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.41 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 tt -161.56 143.32 3.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . . . -80.42 178.23 8.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.539 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 89' ' ' ASP . . . -80.23 -20.6 66.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.737 -173.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -131.41 38.01 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 30.1 tt0 -104.71 143.4 33.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.643 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -113.71 115.71 28.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.196 0.522 . . . . 0.0 111.116 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.08 133.74 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.597 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.696 ' HG2' ' HE ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -97.92 114.23 26.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.523 0.677 . . . . 0.0 110.186 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.7 mt -81.67 107.21 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.258 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.81 ' HB2' ' HB2' ' A' ' 17' ' ' MET . 4.3 mtt180 -92.08 102.16 14.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.064 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -112.03 130.5 55.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.308 -171.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HG3' ' A' ' 79' ' ' LYS . 49.6 mt-10 -131.68 112.0 12.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.721 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.4 mt -106.8 111.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.033 0.444 . . . . 0.0 109.863 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -105.38 124.38 36.57 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.566 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 12' ' ' PHE . 16.2 Cg_exo -68.41 138.42 42.45 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.481 2.121 . . . . 0.0 111.165 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 22.0 t -91.06 -12.53 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.85 129.12 3.08 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 174.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.3 90.96 6.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.183 0.516 . . . . 0.0 111.083 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -90.48 168.14 12.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.551 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 tp -75.79 116.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.382 0.611 . . . . 0.0 110.972 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.64 166.16 12.63 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.371 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 10.3 t -121.69 33.15 5.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.108 0.48 . . . . 0.0 110.692 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 76' ' ' ASN . 96.7 t 77.84 137.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.714 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -87.3 124.44 33.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.311 -167.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 72' ' ' ARG . 15.0 m -99.76 132.82 44.87 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.23 118.83 35.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.163 0.506 . . . . 0.0 110.787 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -107.41 143.49 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HE2' ' HD1' ' A' ' 73' ' ' TYR . 6.4 m-85 -117.24 155.85 28.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -173.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 45.3 t80 -154.44 124.5 6.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 173.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -122.72 96.63 45.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' ' 94' ' ' THR . 56.5 Cg_endo -80.89 -75.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.555 2.17 . . . . 0.0 113.168 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -101.88 126.98 48.89 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.796 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.5 134.4 8.46 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 87' ' ' GLN . 98.3 mttt -92.11 133.49 35.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.159 0.504 . . . . 0.0 110.095 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.2 154.58 25.64 Favored Glycine 0 N--CA 1.438 -1.202 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.697 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.7 m -120.73 107.99 13.43 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 67' ' ' LEU . 40.2 tp -92.39 115.74 28.36 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -122.22 157.27 31.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.108 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mmt -85.67 176.24 8.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.801 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 81' ' ' ARG . 40.5 mt-10 -57.5 -28.94 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.575 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -117.46 56.17 0.84 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.513 0.673 . . . . 0.0 110.353 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.94 -140.24 31.03 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.886 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m 71.57 105.61 0.07 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.789 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.8 t -77.49 116.71 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.304 0.573 . . . . 0.0 110.925 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 59' ' ' LEU . 54.8 mt -84.41 110.69 18.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.506 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.05 145.9 30.39 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.083 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 35.8 Cg_exo -56.93 141.92 93.42 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.649 2.232 . . . . 0.0 111.475 174.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' PRO . 52.3 t30 76.91 -27.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.564 0.745 . . . . 0.0 110.932 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.16 161.74 27.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.459 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 18.6 ptt85 -139.03 127.67 23.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.31 0.576 . . . . 0.0 111.194 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.758 ' HD1' ' HE2' ' A' ' 50' ' ' TYR . 78.9 m-85 -112.46 151.83 29.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.477 177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 tp -96.17 129.61 43.43 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.234 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -118.88 119.11 33.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.106 177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.553 ' HA ' HG13 ' A' ' 45' ' ' VAL . 20.1 t-20 -79.95 -21.53 43.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.293 0.568 . . . . 0.0 109.974 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -117.97 155.01 30.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.75 17.76 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.052 0.453 . . . . 0.0 111.049 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.573 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 85.4 tttt -129.66 126.37 38.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.925 175.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -169.92 165.66 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 62' ' ' GLU . 34.7 ptt180 -122.61 130.6 53.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 0.0 110.224 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.8 mt -111.03 138.54 47.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.265 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' HE1' ' HG2' ' A' ' 62' ' ' GLU . 95.1 m-85 -101.71 107.58 18.84 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.218 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -97.92 107.92 20.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.441 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.6 m -101.19 119.51 38.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.869 175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 p -70.26 144.03 51.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' HB2' ' HB3' ' A' ' 56' ' ' LYS . 16.2 mm100 -115.02 -10.24 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 p -122.39 144.9 48.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.279 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . 14.4 t70 -97.5 27.77 4.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.807 0.813 . . . . 0.0 109.637 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -92.71 156.58 16.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.179 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -84.28 152.35 24.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.269 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.474 ' CB ' ' HA2' ' A' ' 115' ' ' GLY . . . 62.33 92.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.927 0.767 . . . . 0.0 112.337 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -120.72 130.46 54.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.03 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.46 ' O ' ' HD2' ' A' ' 53' ' ' PRO . 3.6 m -127.52 128.99 46.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 111' ' ' TYR . 32.1 pt -123.15 146.39 28.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.876 0.37 . . . . 0.0 111.019 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 51' ' ' PHE . 5.5 m-20 -113.93 131.14 56.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.88 118.92 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.116 174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -109.35 111.66 23.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 76.6 m-85 -93.1 115.34 28.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' HD13 ' A' ' 106' ' ' LEU . 26.2 mt-10 -127.77 123.03 34.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 102' ' ' ASN . 0.6 OUTLIER -128.43 -65.86 0.87 Allowed 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 118.762 -1.175 . . . . 0.0 111.382 175.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.405 ' N ' ' CG ' ' A' ' 101' ' ' ASP . 8.7 p30 -103.75 156.43 17.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -63.95 103.06 0.54 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.135 -173.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.27 -23.44 6.46 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.572 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.15 95.49 7.13 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.359 0.6 . . . . 0.0 111.142 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 100' ' ' GLU . 16.7 tp -127.9 118.68 24.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.11 -1.404 . . . . 0.0 109.196 173.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -120.15 115.23 23.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.034 0.445 . . . . 0.0 109.837 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -96.1 123.69 39.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.61 110.77 22.74 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.618 176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -91.9 114.13 26.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 95' ' ' ILE . 75.4 m-85 -106.89 105.39 15.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.0 110.046 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.448 ' OD2' ' HA3' ' A' ' 115' ' ' GLY . 30.0 t70 -111.28 112.9 24.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.318 -177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.31 133.25 53.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.017 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 58.62 14.91 3.34 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.325 0.583 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 92' ' ' ALA . . . -73.05 -23.36 77.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.968 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.06 105.05 16.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.71 33.44 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -75.52 110.12 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -145.85 124.33 12.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 62.12 -91.37 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.701 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 29.8 m80 63.47 168.1 0.14 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.583 0.706 . . . . 0.0 111.897 -176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -107.27 -28.65 9.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 172.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -136.55 110.11 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.397 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.1 -0.953 . . . . 0.0 110.227 -177.648 . . . . . . . . 0 0 . 1 stop_ save_