data_6qjy_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qjy _Structure_validation_residue.Date_analyzed 2019-09-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 73.52 106.847 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 73.33 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 74.34 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 71.11 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 63.12 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 51.31 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 73.11 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 74.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 40.04 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 75.14 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 74.31 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 74.55 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 72.15 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 74.35 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 74.22 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 73.14 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 62.41 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 75.41 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 72.55 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 60.51 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 71.24 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 54.11 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 73.25 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 72.51 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 74.11 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.41 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 61.24 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 75.45 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 74.13 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 73.13 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 73.21 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 72.23 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 51.24 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 65.52 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 74.22 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.25 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 64.23 109.431 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 71.24 108.781 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 52.01 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 65.31 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 75.21 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.41 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.25 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 73.23 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 74.45 113.419 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 71.11 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 63.15 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 75.33 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 64.45 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 75.21 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 74.41 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 72.41 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 73.41 113.111 -178.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 73.52 106.972 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 75.24 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 70.44 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 74.24 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 74.21 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 71.24 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 73.05 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 74.0 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 63.22 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 73.03 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 70.54 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 63.1 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 73.43 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 73.4 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 74.32 108.052 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 75.14 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 74.44 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 71.23 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 71.41 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 72.42 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.54 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 75.25 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 75.34 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 75.42 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 60.1 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.45 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 74.42 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.42 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 75.15 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 64.33 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.31 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 75.44 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 73.31 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 72.03 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 73.32 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 73.21 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 70.14 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 73.41 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 74.05 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 73.31 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 73.31 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 71.33 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 72.01 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 73.51 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 63.55 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 74.32 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 74.22 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.44 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.439 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 61.52 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.439 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 74.42 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 71.44 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 74.34 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 74.34 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 64.34 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 64.55 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 71.42 112.243 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 73.53 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 75.25 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 52.21 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 74.02 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 75.35 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 72.45 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 74.33 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 74.14 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 73.15 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 71.25 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 73.32 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 72.11 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 71.31 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 70.2 109.164 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 63.04 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 63.0 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 75.23 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 71.2 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 73.13 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 74.13 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 74.32 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 74.01 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 73.14 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 71.42 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 74.32 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 75.32 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 74.15 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.5 106.93 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 74.22 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 74.53 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 72.33 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 72.15 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 63.34 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 74.31 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 74.53 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 74.23 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 71.33 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.42 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 72.31 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 72.23 110.431 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 75.23 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.3 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 73.12 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 60.3 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 71.23 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 74.32 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 74.42 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 73.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 45.04 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.4 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 75.52 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 73.34 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 75.4 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 45.11 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 72.41 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 72.12 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 73.52 110.684 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 74.14 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.14 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 74.53 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 71.15 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 72.25 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 75.14 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 73.33 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 74.53 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 75.04 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.43 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 65.44 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.12 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 72.5 110.851 179.409 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 71.42 105.856 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 73.23 117.557 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.33 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 72.23 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 75.42 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 74.23 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 75.1 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.42 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 73.05 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 73.25 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 71.23 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 63.2 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 70.15 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 70.14 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 75.12 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.43 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 65.31 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 72.42 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.43 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 71.14 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 74.1 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 72.13 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 71.13 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 75.32 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 74.03 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 75.41 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 54.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 72.55 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 73.03 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 71.54 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 73.33 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.51 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 71.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 62.32 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 75.52 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 73.44 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 71.42 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.44 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.24 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 73.32 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 72.34 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 62.03 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 64.4 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.41 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 73.23 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 74.11 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 73.21 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 70.13 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 73.22 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 73.51 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 71.03 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 74.21 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 73.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 75.51 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 75.31 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 73.33 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 73.31 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 64.22 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 75.15 111.728 179.07 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 103.02 -2.956 . . . . 75.42 103.02 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 75.15 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 74.31 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 70.03 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 73.12 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 73.42 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 72.22 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 75.42 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 72.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 63.02 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 75.23 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 75.44 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 75.15 106.284 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 73.11 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 63.35 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 74.31 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 62.01 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 75.12 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 70.32 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 72.42 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 74.42 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 73.33 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 74.15 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 64.25 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 62.02 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.53 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 74.45 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 74.44 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 74.35 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 74.33 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 70.54 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 73.55 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 72.23 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 72.24 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 71.25 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 71.42 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 62.41 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 75.4 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 73.34 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 74.43 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 74.22 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 75.04 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 74.41 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 74.11 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 74.44 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 73.42 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 65.11 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 75.31 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 72.55 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 63.23 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 73.12 110.151 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 74.31 110.166 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 63.52 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 75.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 64.34 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 72.22 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 63.22 109.742 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.12 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 64.45 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 72.1 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 73.02 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 73.11 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 62.01 110.632 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 64.23 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 71.11 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 73.52 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 73.22 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.4 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 64.02 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.24 0.564 0 N-CA-C 109.446 -0.575 . . . . 72.11 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 71.44 110.313 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 64.22 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.53 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 74.22 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 54.41 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 74.45 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 73.25 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 64.54 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 70.21 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 71.32 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 64.04 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 63.55 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 74.24 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 71.31 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 65.43 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 73.43 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 71.15 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 73.02 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.21 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 73.43 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 73.31 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 74.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 74.34 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 74.11 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 75.21 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.22 111.461 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 75.44 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 73.41 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 71.43 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 74.4 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 74.25 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 74.44 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 74.4 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 74.15 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 71.45 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.31 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 71.53 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 74.33 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 72.23 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 73.44 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 62.51 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.33 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 72.43 110.908 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 74.25 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 72.41 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 73.12 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 72.24 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.52 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.42 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 73.33 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 75.4 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 73.51 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -178.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.236 0.343 0 N-CA-C 108.385 -0.969 . . . . 71.42 108.385 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 73.31 110.014 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 64.44 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 65.22 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 74.42 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 70.01 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 64.31 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 73.02 110.494 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 75.42 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 72.54 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 75.45 112.299 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.53 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 74.23 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 72.01 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.15 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 74.25 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 63.5 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 75.31 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 74.32 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 74.3 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 71.3 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 71.32 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.14 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 72.22 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 75.33 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 72.45 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.54 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 74.44 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 70.51 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 74.22 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 75.23 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 63.13 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 74.43 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 71.43 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 74.35 108.575 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 74.21 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 70.44 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 71.14 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 75.2 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 74.45 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 75.43 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 73.13 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 75.24 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 73.55 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 64.54 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 75.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.45 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.42 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 73.21 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 65.24 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 72.44 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.54 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 64.44 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 74.41 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 72.21 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 75.23 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 74.22 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 64.23 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 74.11 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 73.1 112.884 -179.499 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.236 0.388 0 CA-C-O 119.608 -0.234 . . . . 74.43 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 71.23 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 72.31 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 75.22 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 74.34 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 73.44 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 74.02 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.23 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 71.24 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 70.11 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 75.4 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 73.42 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 71.13 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.41 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 73.14 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 73.01 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 73.3 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 75.21 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 74.54 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 75.12 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 75.13 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 74.52 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 74.42 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 70.25 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 63.4 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 42.22 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 65.31 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 64.31 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 74.24 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 73.32 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 73.0 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 63.42 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 74.35 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 73.24 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 63.35 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 65.34 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 75.03 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 75.12 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 75.15 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 71.23 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 70.44 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 74.24 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 52.25 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.4 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.21 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' H ' HD13 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 75.12 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.15 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 74.03 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 61.31 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 74.55 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 74.31 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.52 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 72.31 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 72.12 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 71.55 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 75.11 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 72.25 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.42 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 73.44 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 75.31 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 75.45 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 72.31 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 73.45 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 74.01 111.233 -179.079 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 73.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 74.24 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 72.32 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 74.32 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 74.11 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 64.32 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 73.44 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.32 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 73.5 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 53.32 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 73.42 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 72.3 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 73.45 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 73.41 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 75.41 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 73.53 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 73.21 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 75.01 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 75.11 110.165 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.55 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.44 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 72.21 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 73.53 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.51 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 70.12 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 75.34 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 74.24 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 71.23 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 74.22 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 63.14 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 64.55 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 70.15 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 72.33 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 74.3 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 71.23 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 75.21 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 62.33 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 74.54 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 73.44 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 62.11 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 75.01 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 71.3 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 70.15 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 65.33 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 74.11 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 74.24 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 74.13 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 73.43 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 72.25 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 109.112 -0.699 . . . . 71.13 109.112 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 74.41 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 72.51 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 73.2 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 74.23 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 73.2 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 62.33 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 72.41 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 74.31 110.564 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 73.2 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 75.12 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 73.23 110.966 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 74.41 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 73.2 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.5 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 64.22 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 64.15 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 73.44 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 71.02 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 72.11 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 64.05 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 75.03 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 70.31 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 70.01 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 73.12 109.316 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 74.24 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 72.23 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 73.23 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 73.43 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 73.35 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 75.2 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 73.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 71.23 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 73.32 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 74.03 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 64.5 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 73.43 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 74.32 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 75.22 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 63.11 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 65.3 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.5 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 71.22 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.35 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.22 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 74.35 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 73.52 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 72.11 109.705 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 72.05 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 74.51 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 74.51 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 60.11 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 71.23 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 74.01 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 73.23 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 54.15 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 75.53 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 73.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 72.15 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 73.23 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 63.52 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.31 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.34 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 73.12 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 75.1 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 72.3 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 73.33 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 71.1 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 62.11 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 71.45 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.43 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 74.21 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 74.12 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.55 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 52.21 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 74.43 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 74.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.42 108.306 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 74.43 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 75.1 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 74.24 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 73.43 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 72.41 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 75.4 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 73.35 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 74.12 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 74.42 109.894 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 73.11 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 74.41 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 74.52 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 73.24 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 71.34 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 73.13 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.454 HD22 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 74.31 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 72.22 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 71.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 74.24 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.53 109.545 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 74.21 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 74.22 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.534 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 75.5 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 75.24 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 74.34 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 73.12 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 74.1 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 75.15 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 74.42 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 75.24 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 75.14 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 70.02 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 75.3 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 74.41 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 63.31 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.454 HD13 HD22 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 73.33 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 74.43 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 73.25 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 74.1 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 70.04 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.765 -0.457 . . . . 75.55 109.765 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 75.23 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 72.12 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 71.22 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 75.3 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 75.11 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 74.35 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 74.31 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 61.23 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 74.51 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 72.01 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 71.12 108.772 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 55.54 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 74.41 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 72.35 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.44 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 74.0 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.41 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 63.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 75.02 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 74.52 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 72.23 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 74.41 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 64.13 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 74.34 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 74.41 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 73.12 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 73.42 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 74.23 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 75.1 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 73.05 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 75.2 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 75.3 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 73.41 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 73.25 108.546 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 64.41 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 74.23 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.21 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 51.2 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 65.14 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 74.03 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 64.23 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 75.22 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 74.5 112.458 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 63.51 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 74.44 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 75.41 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 74.51 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 54.21 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 75.04 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 74.22 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 50.31 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 73.51 112.929 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 74.13 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 74.51 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 74.55 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 75.31 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.51 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 108.384 -0.969 . . . . 70.35 108.384 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 62.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 73.11 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 65.44 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 73.03 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 73.31 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 71.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 75.41 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 75.31 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 71.54 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.14 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 72.04 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 32' ' ' GLY . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 30' ' ' MET . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 44.42 112.549 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 74.23 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 74.33 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 74.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 72.03 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.34 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 72.14 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 63.4 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 75.31 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 75.22 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.33 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 75.24 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 72.14 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 73.35 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 74.34 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 74.41 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 75.21 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 74.24 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 72.22 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 64.24 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 55.51 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 72.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 73.23 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 72.04 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.23 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 72.52 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 74.42 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 63.13 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 74.44 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 73.15 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 72.52 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 73.42 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 70.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.41 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.3 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 61.33 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 72.44 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 71.03 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 72.41 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 70.44 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 75.13 111.192 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 119.099 -0.477 . . . . 75.24 112.089 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 75.01 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 54.32 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 64.11 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 62.34 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.53 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 72.14 108.959 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 74.44 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 73.32 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 74.43 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 75.2 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 72.05 111.068 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 74.34 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 74.44 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 75.21 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 73.14 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 73.3 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 74.21 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 65.32 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 72.51 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 75.31 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 72.33 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 73.4 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 73.33 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 72.3 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 72.01 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 74.44 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 71.15 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 74.42 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 74.03 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 74.24 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 72.13 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 75.22 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 75.04 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 72.53 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 75.32 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 74.53 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 74.2 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 74.32 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 72.21 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 73.0 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 75.14 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 75.13 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 74.14 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 65.15 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 74.53 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 75.51 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 72.11 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.43 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 73.35 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 73.11 111.442 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 61.34 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 72.32 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 73.11 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 74.01 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 74.44 113.483 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.236 0.375 0 N-CA-C 109.797 -0.445 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 65.31 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 70.13 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 72.35 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 72.13 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 73.34 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 72.1 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 72.03 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.31 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 74.55 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 73.23 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 64.0 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 74.25 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 62.34 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 74.01 108.932 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 62.44 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 73.54 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 71.41 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.3 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 72.43 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 71.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 75.24 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 71.22 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 75.52 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 75.31 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 75.32 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 73.42 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 74.5 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 64.11 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 74.43 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 74.22 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 74.23 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 61.34 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 61.11 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 73.22 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 70.11 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 70.5 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 74.41 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 63.0 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 65.41 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 70.51 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 73.33 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 71.54 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 51.41 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 75.53 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 74.35 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 65.11 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 75.34 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 64.11 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 72.42 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 64.04 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 75.52 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 75.21 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 74.45 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.32 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 73.15 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 75.32 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 54.4 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 74.34 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 73.11 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 71.34 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 64.22 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.24 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 65.34 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 70.32 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 75.12 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 70.43 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 72.51 112.883 -179.516 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.729 -0.471 . . . . 72.24 109.729 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 74.14 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 74.34 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 75.44 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 74.51 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 74.55 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 70.52 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 52.31 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 73.23 111.601 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 74.42 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 74.5 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 74.21 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 73.14 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 73.3 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 75.1 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 71.33 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 71.32 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 64.43 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.34 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 71.05 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 72.4 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 75.24 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 74.34 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 73.01 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 74.13 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 75.21 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 75.14 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 75.01 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 73.34 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.33 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 74.13 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 72.11 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 71.41 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 75.31 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 74.13 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 74.52 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 74.32 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 71.23 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 64.22 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 63.34 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 72.21 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 62.02 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 65.11 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 72.01 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 75.44 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 75.51 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 73.44 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 72.44 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 65.41 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 73.44 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 74.44 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 74.03 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 52.24 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.52 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 75.34 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 61.3 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 71.43 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 74.22 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 71.14 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 75.02 112.919 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 62.04 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 73.3 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 75.43 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.51 107.725 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 64.55 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.41 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 62.31 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 72.04 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 74.02 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 70.42 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 71.1 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.51 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 70.32 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 72.53 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 73.23 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 72.23 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 63.44 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 74.03 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 63.01 109.126 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 73.51 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 73.4 111.189 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 74.2 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 74.15 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 62.21 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 73.44 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 73.13 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 71.55 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 72.35 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.35 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 50.2 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 75.02 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 71.11 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 75.21 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 62.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 75.22 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 72.44 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 74.33 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 74.45 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.42 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 74.53 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 75.51 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 64.22 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 74.15 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 61.34 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 74.14 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 72.11 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 73.21 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 62.21 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.4 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 72.41 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 74.43 111.8 179.319 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 107.547 -1.279 . . . . 71.44 107.547 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 75.3 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 62.01 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 71.21 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 74.14 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 71.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 75.33 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 71.34 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 75.04 107.604 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 75.24 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 74.3 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 61.22 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 74.51 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 63.43 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 74.33 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 74.32 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 73.52 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 73.3 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 71.33 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 73.51 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 71.14 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 74.41 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 70.33 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 73.43 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 64.11 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 74.33 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.44 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 62.43 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 74.34 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 72.45 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 73.41 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 73.02 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 61.05 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 74.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 73.15 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 62.55 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 74.11 107.077 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 73.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 73.44 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 75.34 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 63.14 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 72.22 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 73.4 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 70.43 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 72.43 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 70.1 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 73.44 110.035 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 64.33 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 61.12 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 71.14 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 74.43 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 74.14 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 71.44 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 75.13 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 75.42 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 65.44 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 74.31 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 71.24 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 72.02 110.53 -179.556 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--O 1.237 0.4 0 CA-C-O 119.431 -0.318 . . . . 74.13 111.78 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 74.54 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 72.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.44 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.52 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 75.53 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 74.53 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 64.44 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 73.31 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 73.05 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 75.2 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 72.14 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 73.52 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 65.42 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 74.21 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 73.34 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 72.03 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 72.21 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.51 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 71.22 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 73.22 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 74.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 72.55 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 74.3 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 74.31 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 72.42 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 64.2 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 72.04 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 74.15 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 74.2 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 72.43 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 73.43 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 64.03 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 75.32 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.43 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 74.22 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 74.15 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 61.0 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.32 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 74.02 110.517 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 71.01 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 73.4 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 74.22 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 71.35 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 64.13 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 74.11 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 72.43 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 70.41 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 72.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 64.33 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 75.25 111.111 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 71.45 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 74.45 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 75.44 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 72.13 112.096 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.764 -1.198 . . . . 72.43 107.764 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 74.23 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.3 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 74.01 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 75.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 71.14 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 72.11 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 74.41 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 74.23 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 70.11 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 73.22 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 73.24 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 74.14 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 74.13 105.303 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.55 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 71.23 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.24 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 75.1 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 72.1 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 63.33 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 73.03 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 72.15 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.22 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 75.03 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 73.52 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 61.21 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 74.54 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 64.41 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 62.5 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.419 HD22 ' CD1' ' A' ' 120' ' ' ILE . 8.4 t30 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 73.41 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 73.3 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.5 109.786 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 74.21 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 70.22 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 74.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 60.44 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.52 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 73.11 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 75.44 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 72.14 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 74.24 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 74.33 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 64.42 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 43.15 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 75.53 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 72.43 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.25 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 74.3 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 75.44 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 74.03 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 72.42 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 74.4 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 72.21 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 74.53 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.419 ' CD1' HD22 ' A' ' 70' ' ' ASN . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 74.4 109.075 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 73.42 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 75.31 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 73.22 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 75.33 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 74.25 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 71.24 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 N-CA-C 109.255 -1.538 . . . . 51.41 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -145.45 -175.69 4.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.816 1.646 . . . . 60.31 107.466 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.36 -104.85 0.25 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 106.088 -2.805 . . . . 74.31 106.088 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.93 2.46 0.4 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.649 2.38 . . . . 73.51 115.62 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HG ' ' CD2' ' A' ' 6' ' ' HIS . 64.3 p -83.07 4.23 27.11 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.274 1.43 . . . . 72.32 113.885 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 5' ' ' SER . 88.5 m-70 -143.79 114.68 7.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.274 1.429 . . . . 73.41 107.238 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 p -142.92 109.7 5.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.27 -1.752 . . . . 73.51 106.27 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.86 155.29 71.17 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 73.52 106.847 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 73.33 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 74.34 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 71.11 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 63.12 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 51.31 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 73.11 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 74.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 40.04 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 75.14 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 74.31 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 74.55 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 72.15 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 74.35 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 74.22 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 73.14 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 62.41 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 75.41 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 72.55 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 60.51 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 71.24 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 54.11 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 73.25 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 72.51 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 74.11 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.41 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 61.24 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 75.45 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 74.13 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 73.13 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 73.21 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 72.23 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 51.24 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 65.52 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 74.22 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.25 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 64.23 109.431 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 71.24 108.781 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 52.01 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 65.31 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 75.21 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.41 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.25 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 73.23 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 74.45 113.419 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 71.11 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 63.15 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 75.33 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 64.45 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 75.21 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 74.41 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 72.41 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.96 -46.05 66.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 73.41 113.111 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 44.77 41.34 4.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.373 2.269 . . . . 71.11 112.076 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.3 -136.09 5.79 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.102 -1.999 . . . . 73.41 108.102 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mmt -128.82 81.91 2.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 126.573 1.949 . . . . 74.22 107.343 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.14 -16.9 62.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 114.322 1.231 . . . . 74.54 114.322 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -117.76 163.05 17.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.132 1.333 . . . . 72.12 110.406 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.09 176.32 4.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.344 1.458 . . . . 72.42 110.236 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -144.14 162.01 37.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.768 2.027 . . . . 73.43 108.453 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 104.916 -2.253 . . . . 71.41 104.916 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 0 N-CA-C 108.853 -1.699 . . . . 71.41 108.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -63.86 161.31 15.73 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 117.87 0.835 . . . . 64.43 108.929 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 92.96 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.021 -1.561 . . . . 74.21 114.417 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -67.96 29.98 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.966 2.507 . . . . 75.1 113.082 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.98 -24.78 66.39 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.325 -1.485 . . . . 73.21 110.116 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.0 m170 39.71 63.44 1.02 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 126.962 2.105 . . . . 74.23 110.927 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -142.78 147.7 35.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.519 -0.549 . . . . 71.21 109.519 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.03 144.52 92.94 Favored Pre-proline 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 73.52 106.972 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 75.24 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 70.44 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 74.24 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 74.21 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 71.24 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 73.05 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 74.0 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 63.22 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 73.03 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 70.54 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 63.1 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 73.43 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 73.4 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 74.32 108.052 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 75.14 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 74.44 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 71.23 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 71.41 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 72.42 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.54 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 75.25 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 75.34 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 75.42 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 60.1 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.45 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 74.42 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.42 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 75.15 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 64.33 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.31 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 75.44 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 73.31 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 72.03 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 73.32 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 73.21 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 70.14 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 73.41 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 74.05 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 73.31 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 73.31 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 71.33 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 72.01 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 73.51 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 63.55 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 74.32 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 74.22 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.44 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.439 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 61.52 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.439 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 74.42 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 71.44 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 74.34 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 74.34 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 64.34 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 64.55 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 71.42 112.243 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 73.53 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 75.25 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 52.21 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 74.02 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 75.35 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 72.45 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 74.33 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 74.14 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 73.15 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 71.25 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 73.32 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 72.11 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 71.31 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -89.82 -49.22 6.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.94 102.44 0.47 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.465 1.106 . . . . 71.2 109.159 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.06 -27.49 64.94 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.439 1.019 . . . . 71.54 112.042 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.3 mtp -132.31 96.18 3.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.614 -1.995 . . . . 74.45 105.614 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -120.2 -177.27 3.39 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.544 1.538 . . . . 74.4 108.349 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.42 155.05 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.648 -1.242 . . . . 75.53 107.648 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -156.89 154.61 5.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.5 167.55 21.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.106 -1.072 . . . . 72.34 108.106 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 107.067 -1.457 . . . . 72.24 107.067 179.317 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.053 -1.619 . . . . 51.53 109.053 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.24 158.52 31.21 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.984 1.392 . . . . 74.12 111.785 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.17 -113.23 3.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 104.744 -3.342 . . . . 75.21 104.744 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.04 0.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.628 2.371 . . . . 71.34 116.276 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -66.01 -59.15 4.09 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 125.119 1.368 . . . . 74.42 107.922 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.68 133.64 50.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.617 1.967 . . . . 74.05 108.261 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -145.55 129.76 17.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.248 -1.76 . . . . 75.21 106.248 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.91 147.55 79.11 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 70.2 109.164 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 63.04 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 63.0 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 75.23 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 71.2 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 73.13 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 74.13 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 74.32 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 74.01 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 73.14 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 71.42 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 74.32 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 75.32 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 74.15 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.5 106.93 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 74.22 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 74.53 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 72.33 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 72.15 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 63.34 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 74.31 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 74.53 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 74.23 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 71.33 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.42 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 72.31 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 72.23 110.431 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 75.23 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.3 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 73.12 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 60.3 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 71.23 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 74.32 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 74.42 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 73.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 45.04 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.4 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 75.52 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 73.34 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 75.4 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 45.11 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 72.41 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 72.12 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 73.52 110.684 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 74.14 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.14 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 74.53 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 71.15 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 72.25 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 75.14 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 73.33 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 74.53 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 75.04 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.43 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 65.44 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.12 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -80.7 -15.42 56.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 72.5 110.851 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 53.81 42.82 31.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.472 2.309 . . . . 74.35 109.569 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 177.49 150.11 8.27 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.564 -1.014 . . . . 73.14 110.564 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.32 164.27 14.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.292 1.037 . . . . 73.53 109.546 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -149.17 -165.91 2.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.563 1.545 . . . . 72.32 108.829 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.29 165.37 26.32 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.433 -1.417 . . . . 74.33 111.723 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.2 p -165.31 150.07 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.18 1.792 . . . . 74.3 107.441 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.9 p -79.78 174.64 11.38 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.372 1.069 . . . . 71.15 111.266 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 N-CA-C 108.059 -1.089 . . . . 65.22 108.059 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.562 0 N-CA-C 111.197 -0.761 . . . . 74.41 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -77.62 94.78 4.44 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 104.936 -2.246 . . . . 64.13 104.936 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.3 -144.33 3.89 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.851 -1.3 . . . . 74.13 109.851 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -138.68 113.46 9.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.894 -1.15 . . . . 63.44 107.894 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -110.05 -5.17 15.48 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.217 1.191 . . . . 65.2 114.217 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -156.93 163.77 38.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.728 -1.582 . . . . 74.43 106.728 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.0 p -113.83 133.59 55.31 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.818 1.19 . . . . 72.4 110.014 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.98 146.75 18.91 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 71.42 105.856 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 73.23 117.557 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.33 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 72.23 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 75.42 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 74.23 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 75.1 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.42 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 73.05 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 73.25 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 71.23 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 63.2 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 70.15 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 70.14 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 75.12 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.43 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 65.31 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 72.42 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.43 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 71.14 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 74.1 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 72.13 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 71.13 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 75.32 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 74.03 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 75.41 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 54.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 72.55 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 73.03 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 71.54 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 73.33 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.51 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 71.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 62.32 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 75.52 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 73.44 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 71.42 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.44 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.24 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 73.32 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 72.34 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 62.03 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 64.4 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.41 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 73.23 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 74.11 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 73.21 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 70.13 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 73.22 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 73.51 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 71.03 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 74.21 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 73.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 75.51 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 75.31 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 73.33 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 73.31 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 64.22 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.96 -31.36 71.88 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 75.15 111.728 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 50.44 39.08 19.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.006 0.922 . . . . 72.33 112.521 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -164.43 -175.6 35.4 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.601 2.048 . . . . 64.22 109.419 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.2 ttm -133.41 47.16 2.5 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.61 1.164 . . . . 71.25 108.718 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -77.09 73.08 3.67 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.115 -1.068 . . . . 72.11 108.115 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.29 35.9 2.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.606 2.362 . . . . 75.34 112.207 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.1 159.84 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.611 1.164 . . . . 71.15 110.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 157.11 36.9 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.867 -0.52 . . . . 73.43 111.216 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.801 2.04 . . . . 75.14 107.695 178.784 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.461 0 N-CA-C 108.88 -1.688 . . . . 54.33 108.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m 59.85 -10.0 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 117.196 2.295 . . . . 70.53 117.196 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.62 14.67 2.44 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 121.445 1.93 . . . . 71.33 114.229 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -152.8 -54.89 0.12 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.138 2.175 . . . . 73.13 108.757 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -73.85 -2.86 25.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 116.096 1.887 . . . . 72.31 116.096 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -126.82 89.69 3.03 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.638 1.563 . . . . 74.34 110.217 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -89.33 -179.13 5.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 105.741 -1.948 . . . . 74.34 105.741 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.05 143.02 17.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 103.02 -2.956 . . . . 75.42 103.02 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 75.15 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 74.31 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 70.03 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 73.12 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 73.42 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 72.22 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 75.42 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 72.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 63.02 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 75.23 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 75.44 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 75.15 106.284 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 73.11 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 63.35 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 74.31 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 62.01 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 75.12 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 70.32 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 72.42 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 74.42 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 73.33 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 74.15 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 64.25 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 62.02 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.53 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 74.45 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 74.44 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 74.35 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 74.33 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 70.54 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 73.55 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 72.23 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 72.24 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 71.25 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 71.42 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 62.41 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 75.4 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 73.34 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 74.43 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 74.22 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 75.04 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 74.41 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 74.11 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 74.44 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 73.42 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 65.11 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 75.31 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 72.55 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 63.23 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 73.12 110.151 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 74.31 110.166 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 63.52 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 75.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 64.34 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 72.22 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 63.22 109.742 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.12 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 64.45 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 72.1 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 73.02 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 73.11 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 62.01 110.632 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 64.23 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 71.11 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 73.52 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 73.22 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.4 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 64.02 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 131' ' ' GLY . 16.8 mm-40 -72.53 -62.37 1.47 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.68 -21.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.245 3.018 . . . . 62.21 113.36 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 129' ' ' GLN . . . -75.52 -174.25 35.27 Favored Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 127.408 2.432 . . . . 64.24 111.657 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.4 ttt -99.24 -90.45 0.3 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.57 1.548 . . . . 75.42 108.133 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -153.43 170.16 21.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.328 1.451 . . . . 74.14 108.175 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -135.6 173.16 12.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.586 1.955 . . . . 61.0 108.927 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.53 164.42 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 124.743 1.217 . . . . 70.04 110.529 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -84.38 -179.4 7.17 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 123.094 1.426 . . . . 72.02 110.04 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 1 C-N-CA 135.083 5.353 . . . . 74.53 102.404 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.64 0 N-CA-C 108.649 -1.78 . . . . 63.21 108.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.56 83.71 3.95 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.596 -1.261 . . . . 75.02 107.596 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 -167.04 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.207 -0.757 . . . . 72.32 111.207 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -71.85 90.35 1.11 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.091 0.957 . . . . 72.54 109.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -49.95 62.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.745 -0.835 . . . . 75.24 108.745 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -160.53 144.9 14.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.424 1.49 . . . . 64.35 107.979 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -145.18 104.91 4.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.034 -1.099 . . . . 71.02 108.034 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 p -134.08 156.18 79.4 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 121.471 -0.768 . . . . 72.11 109.446 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 71.44 110.313 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 64.22 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.53 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 74.22 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 54.41 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 74.45 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 73.25 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 64.54 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 70.21 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 71.32 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 64.04 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 63.55 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 74.24 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 71.31 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 65.43 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 73.43 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 71.15 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 73.02 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.21 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 73.43 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 73.31 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 74.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 74.34 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 74.11 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 75.21 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.22 111.461 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 75.44 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 73.41 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 71.43 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 74.4 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 74.25 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 74.44 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 74.4 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 74.15 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 71.45 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.31 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 71.53 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 74.33 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 72.23 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 73.44 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 62.51 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.33 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 72.43 110.908 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 74.25 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 72.41 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 73.12 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 72.24 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.52 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.42 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 73.33 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 75.4 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 73.51 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -74.27 -22.92 59.1 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 54.34 16.36 1.22 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.053 1.741 . . . . 72.4 114.131 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 174.43 162.56 26.27 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 108.621 -1.792 . . . . 45.12 108.621 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 13.5 ptp -165.57 133.78 3.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.311 1.444 . . . . 74.55 107.449 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.13 -55.03 38.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.977 0.911 . . . . 64.41 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.94 168.86 18.77 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 128.872 2.869 . . . . 73.04 104.644 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.4 p -124.79 150.7 29.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.099 0.959 . . . . 72.35 110.553 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 t -55.62 -67.37 0.29 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.834 2.054 . . . . 74.23 112.696 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 124.889 1.276 . . . . 63.31 110.484 -178.543 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 N-CA-C 111.365 -0.694 . . . . 75.52 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 -172.83 2.87 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.304 1.441 . . . . 74.23 109.585 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.96 -174.01 55.32 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 121.495 0.497 . . . . 70.33 112.359 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -60.99 156.73 17.05 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.81 1.644 . . . . 64.13 109.333 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -68.43 -55.4 12.01 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.276 -1.009 . . . . 73.42 108.276 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -65.03 128.97 37.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.243 1.417 . . . . 74.42 110.226 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -146.31 164.68 31.6 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.593 -1.632 . . . . 72.11 106.593 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 p -141.52 163.51 40.78 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 124.882 1.273 . . . . 71.42 108.385 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 73.31 110.014 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 64.44 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 65.22 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 74.42 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 70.01 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 64.31 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 73.02 110.494 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 75.42 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 72.54 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 75.45 112.299 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.53 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 74.23 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 72.01 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.15 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 74.25 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 63.5 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 75.31 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 74.32 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 74.3 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 71.3 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 71.32 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.14 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 72.22 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 75.33 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 72.45 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.54 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 74.44 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 70.51 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 74.22 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 75.23 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 63.13 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 74.43 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 71.43 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 74.35 108.575 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 74.21 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 70.44 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 71.14 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 75.2 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 74.45 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 75.43 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 73.13 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 75.24 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 73.55 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 64.54 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 75.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.45 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.42 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 73.21 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 65.24 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 72.44 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.54 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 64.44 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 74.41 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 72.21 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 75.23 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 74.22 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 64.23 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 74.11 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -74.43 -21.0 59.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 73.1 112.884 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.25 51.98 12.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.19 1.796 . . . . 73.51 110.222 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.5 103.93 0.21 Allowed Glycine 0 C--N 1.338 0.691 0 CA-C-O 119.52 -0.6 . . . . 64.04 112.38 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.06 162.13 27.57 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.428 -0.953 . . . . 72.31 108.428 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.9 164.34 27.13 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.575 1.15 . . . . 71.22 111.363 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.92 -57.94 4.82 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.447 1.099 . . . . 73.23 108.94 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.94 128.85 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.443 -0.577 . . . . 74.35 109.443 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.3 m -138.67 166.38 24.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.011 1.324 . . . . 52.1 108.765 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.812 1.645 . . . . 75.41 106.808 179.011 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.764 -0.935 . . . . 72.2 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -104.87 -6.89 19.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.83 1.252 . . . . 71.43 111.978 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.57 -19.27 0.1 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-O 118.47 -1.183 . . . . 61.5 115.743 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -84.75 77.3 10.09 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.15 1.975 . . . . 74.44 109.788 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -109.09 -12.63 14.81 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 115.435 1.643 . . . . 75.31 115.435 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -148.22 84.54 1.51 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.111 1.323 . . . . 75.32 111.477 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -68.52 116.18 8.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.043 -1.095 . . . . 62.13 108.043 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p -147.23 161.94 34.49 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.385 -0.822 . . . . 74.43 111.334 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 71.23 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 72.31 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 75.22 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 74.34 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 73.44 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 74.02 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.23 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 71.24 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 70.11 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 75.4 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 73.42 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 71.13 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.41 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 73.14 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 73.01 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 73.3 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 75.21 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 74.54 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 75.12 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 75.13 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 74.52 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 74.42 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 70.25 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 63.4 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 42.22 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 65.31 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 64.31 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 74.24 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 73.32 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 73.0 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 63.42 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 74.35 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 73.24 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 63.35 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 65.34 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 75.03 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 75.12 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 75.15 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 71.23 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 70.44 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 74.24 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 52.25 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.4 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.21 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' H ' HD13 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 75.12 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.15 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 74.03 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 61.31 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 74.55 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 74.31 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.52 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 72.31 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 72.12 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 71.55 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 75.11 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 72.25 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.42 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 73.44 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 75.31 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 75.45 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 72.31 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 73.45 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -107.03 -48.97 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 74.01 111.233 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.83 164.05 39.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.069 1.348 . . . . 74.11 109.929 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.81 171.19 19.76 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.067 1.318 . . . . 74.13 113.319 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.2 ptp 39.53 18.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 130.104 3.362 . . . . 75.53 116.573 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -47.46 123.86 6.22 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.312 1.445 . . . . 74.45 111.339 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -107.85 139.86 41.81 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 102.733 -3.062 . . . . 74.11 102.733 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 m -99.76 173.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 124.157 0.983 . . . . 75.53 112.428 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 12.64 7.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.134 1.374 . . . . 73.21 112.888 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 N-CA-C 107.174 -1.417 . . . . 70.21 107.174 178.524 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.698 0 N-CA-C 108.622 -1.791 . . . . 73.34 108.622 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -117.8 165.96 13.03 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.402 1.081 . . . . 75.54 110.06 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.5 43.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.112 -1.382 . . . . 61.1 115.463 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -68.55 137.81 54.63 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.854 1.827 . . . . 73.35 108.497 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -67.2 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.93 1.085 . . . . 72.44 113.93 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -146.25 165.36 29.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.396 1.879 . . . . 71.12 107.63 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 m -128.1 103.86 7.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 106.65 -1.611 . . . . 74.5 106.65 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -87.12 141.13 32.77 Favored Pre-proline 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 73.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 74.24 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 72.32 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 74.32 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 74.11 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 64.32 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 73.44 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.32 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 73.5 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 53.32 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 73.42 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 72.3 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 73.45 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 73.41 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 75.41 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 73.53 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 73.21 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 75.01 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 75.11 110.165 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.55 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.44 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 72.21 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 73.53 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.51 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 70.12 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 75.34 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 74.24 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 71.23 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 74.22 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 63.14 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 64.55 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 70.15 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 72.33 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 74.3 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 71.23 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 75.21 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 62.33 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 74.54 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 73.44 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 62.11 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 75.01 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 71.3 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 70.15 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 65.33 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 74.11 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 74.24 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 74.13 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 73.43 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 72.25 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -106.97 -16.92 14.33 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 49.68 -0.79 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.365 3.066 . . . . 72.41 117.632 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -169.4 -2.82 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 CA-C-N 120.991 1.723 . . . . 74.14 115.267 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 mmt 52.46 32.7 11.81 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.026 1.862 . . . . 73.23 116.026 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.17 166.63 7.58 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.274 1.397 . . . . 72.23 109.747 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -74.0 169.56 17.23 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.529 -0.732 . . . . 73.35 112.927 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.93 178.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.62 1.568 . . . . 72.11 108.954 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 m -132.78 134.62 44.94 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.273 1.829 . . . . 64.4 106.835 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.845 2.058 . . . . 72.34 107.088 179.345 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 N-CA-C 110.464 -1.054 . . . . 61.1 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m 44.86 46.85 9.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.02 0.928 . . . . 71.34 112.986 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.93 -133.79 0.9 Allowed Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.599 -1.8 . . . . 64.03 108.599 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 56.73 9.47 0.59 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.457 1.28 . . . . 75.14 114.457 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.78 19.74 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 120.462 -1.398 . . . . 64.52 110.424 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -73.32 100.62 3.21 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 106.225 -1.768 . . . . 73.11 106.225 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -106.05 159.53 15.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.038 0.835 . . . . 75.44 109.828 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.45 150.66 37.81 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 124.185 0.994 . . . . 71.13 109.112 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 74.41 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 72.51 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 73.2 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 74.23 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 73.2 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 62.33 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 72.41 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 74.31 110.564 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 73.2 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 75.12 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 73.23 110.966 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 74.41 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 73.2 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.5 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 64.22 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 64.15 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 73.44 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 71.02 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 72.11 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 64.05 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 75.03 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 70.31 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 70.01 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 73.12 109.316 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 74.24 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 72.23 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 73.23 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 73.43 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 73.35 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 75.2 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 73.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 71.23 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 73.32 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 74.03 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 64.5 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 73.43 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 74.32 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 75.22 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 63.11 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 65.3 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.5 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 71.22 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.35 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.22 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 74.35 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 73.52 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 72.11 109.705 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 72.05 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 74.51 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 74.51 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 60.11 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 71.23 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 74.01 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 73.23 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 54.15 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 75.53 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 73.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 72.15 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 73.23 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 63.52 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.31 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.34 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 73.12 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -106.71 -58.32 1.95 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.44 15.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.318 1.447 . . . . 70.01 114.122 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 41.74 -139.47 1.94 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.293 1.902 . . . . 43.01 113.708 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 24.66 57.11 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 1 C-N-CA 132.229 4.212 . . . . 71.12 115.948 178.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.92 157.11 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.1 2.16 . . . . 60.33 105.316 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -157.66 170.89 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 74.04 108.248 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.1 -37.23 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.775 -1.195 . . . . 52.42 107.775 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.72 21.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.847 0.859 . . . . 65.3 108.808 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.361 0 C-N-CA 129.567 3.147 . . . . 74.43 104.427 179.723 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.817 0 N-CA-C 110.194 -1.163 . . . . 72.22 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -62.46 115.03 3.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.011 0.925 . . . . 75.24 109.784 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.34 -33.54 0.19 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 124.154 0.883 . . . . 64.34 111.971 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.16 71.78 4.65 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 107.049 -1.463 . . . . 64.32 107.049 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 p -56.52 -47.48 79.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.59 1.556 . . . . 74.34 114.232 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -74.33 140.17 44.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.932 -1.136 . . . . 61.55 107.932 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.58 156.01 36.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.598 0.759 . . . . 72.25 110.125 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.54 147.49 60.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 75.1 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 72.3 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 73.33 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 71.1 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 62.11 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 71.45 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.43 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 74.21 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 74.12 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.55 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 52.21 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 74.43 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 74.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.42 108.306 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 74.22 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 74.43 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 75.1 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 74.24 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 73.43 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 72.41 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 75.4 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 73.35 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 74.12 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 74.42 109.894 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 73.11 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 74.41 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 74.52 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 73.24 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 71.34 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 73.13 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.454 HD22 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 74.31 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 72.22 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 71.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 74.24 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.53 109.545 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 74.21 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 74.22 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.534 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.534 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 75.5 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 75.24 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 74.34 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 73.12 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 74.1 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 75.15 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 74.42 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 75.24 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 75.14 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 70.02 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 75.3 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 74.41 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 63.31 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.454 HD13 HD22 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 73.33 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 74.43 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 73.25 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 74.1 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 70.04 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.0 -21.12 47.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.65 -3.71 0.85 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.39 3.476 . . . . 74.32 115.533 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -144.09 -52.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-N 120.698 1.59 . . . . 62.14 114.125 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 tpt -70.18 105.89 3.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.064 1.346 . . . . 74.32 112.84 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -83.65 -47.91 10.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.06 0.544 . . . . 74.41 110.51 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -52.71 100.03 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.169 1.788 . . . . 72.41 114.778 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 54.9 t -140.07 168.47 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 126.165 1.786 . . . . 63.34 108.728 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -130.33 175.4 8.98 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.592 1.957 . . . . 71.12 110.677 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.404 1.882 . . . . 73.31 108.717 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.153 -0.779 . . . . 63.35 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -70.49 153.29 43.1 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.507 0.723 . . . . 75.2 109.847 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.5 158.05 17.15 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 125.508 1.528 . . . . 74.54 113.133 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -44.8 125.39 4.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.211 2.604 . . . . 73.32 112.183 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -61.33 -61.5 2.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.463 1.505 . . . . 73.14 112.039 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -58.7 92.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.978 1.311 . . . . 72.3 111.708 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 p -145.67 157.97 43.9 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.519 1.128 . . . . 64.2 111.779 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 162.44 74.12 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.913 1.285 . . . . 75.55 109.765 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 75.23 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 72.12 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 71.22 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 75.3 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 75.11 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 74.35 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 74.31 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 61.23 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 74.51 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 72.01 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 71.12 108.772 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 55.54 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 74.41 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 72.35 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.44 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 74.0 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.41 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 63.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 75.02 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 74.52 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 72.23 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 74.41 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 64.13 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 74.34 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 74.41 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 73.12 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 73.42 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 74.23 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 75.1 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 73.05 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 75.2 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 75.3 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 73.41 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 73.25 108.546 178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 64.41 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 74.23 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.21 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 51.2 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 65.14 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 74.03 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 64.23 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 75.22 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 74.5 112.458 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 63.51 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 74.44 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 75.41 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 74.51 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 54.21 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 75.04 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 74.22 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 50.31 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 73.51 112.929 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 74.13 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 74.51 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 74.55 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 75.31 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.51 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.3 -50.42 5.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.8 88.8 1.63 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.116 0.871 . . . . 73.24 110.258 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.85 68.1 3.29 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 108.683 -1.767 . . . . 70.1 108.683 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.4 mmt 53.02 46.24 27.17 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.419 1.888 . . . . 73.55 110.854 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.6 -53.35 19.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.078 1.751 . . . . 75.21 112.132 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.43 146.25 48.79 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.167 1.387 . . . . 73.33 109.925 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -141.42 162.49 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 124.592 1.157 . . . . 75.32 108.676 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -162.11 -173.91 3.86 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.373 -0.973 . . . . 75.05 108.373 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.539 2.336 . . . . 73.54 106.969 179.282 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.931 0 N-CA-C 111.0 -0.84 . . . . 73.2 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -140.59 175.33 9.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.49 1.116 . . . . 71.15 110.034 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -174.05 16.13 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.648 1.118 . . . . 64.32 110.803 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -151.7 101.76 2.8 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.358 1.063 . . . . 65.43 108.607 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -57.36 -36.03 70.69 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.263 1.025 . . . . 64.5 112.366 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 42.99 12.01 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.324 3.05 . . . . 74.42 116.804 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 t -74.04 156.5 37.43 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.268 1.427 . . . . 72.31 110.369 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.1 146.31 81.96 Favored Pre-proline 0 CA--C 1.537 0.449 0 C-N-CA 125.321 1.449 . . . . 70.35 108.384 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 62.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 73.11 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 65.44 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 73.03 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 73.31 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 71.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 75.41 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 75.31 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 71.54 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.14 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 72.04 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 32' ' ' GLY . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 30' ' ' MET . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 44.42 112.549 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 74.23 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 74.33 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 74.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 72.03 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.34 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 72.14 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 63.4 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 75.31 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 75.22 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.33 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 75.24 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 72.14 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 73.35 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 74.34 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 74.41 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 75.21 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 74.24 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 72.22 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 64.24 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 55.51 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 72.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 73.23 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 72.04 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.23 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 72.52 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 74.42 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 63.13 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 74.44 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 73.15 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 72.52 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 73.42 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 70.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.41 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.3 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 61.33 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 72.44 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 71.03 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 72.41 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 70.44 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -97.2 -34.77 10.99 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 75.13 111.192 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -152.68 120.02 5.93 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.781 1.232 . . . . 62.51 110.381 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -93.0 24.97 22.19 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.675 -1.07 . . . . 72.55 111.495 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.9 ttm -63.16 148.72 47.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.472 1.636 . . . . 75.25 109.983 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -137.24 78.64 1.7 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.11 -1.441 . . . . 72.32 107.11 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 157.83 7.32 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.389 1.875 . . . . 63.13 107.949 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.47 140.0 9.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 O-C-N 120.686 -1.259 . . . . 70.31 110.982 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.0 p -77.6 165.38 24.36 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.108 1.363 . . . . 73.24 110.936 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.932 1.693 . . . . 75.32 108.027 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.513 0 N-CA-C 111.349 -0.7 . . . . 61.54 111.349 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -77.9 54.98 1.35 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.136 1.374 . . . . 73.24 109.564 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.02 170.0 26.15 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 126.394 1.949 . . . . 70.13 108.774 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -129.8 -63.0 0.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.773 -1.195 . . . . 72.1 107.773 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -108.98 -23.18 11.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.556 1.142 . . . . 74.21 111.023 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 63.27 5.33 1.95 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.431 1.892 . . . . 70.14 113.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -59.71 153.09 21.09 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 126.508 1.923 . . . . 74.01 112.608 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.39 157.93 34.01 Favored Pre-proline 0 C--O 1.238 0.469 0 C-N-CA 125.786 1.634 . . . . 75.24 112.089 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 75.01 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 54.32 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 64.11 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 62.34 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.53 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 72.14 108.959 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 74.44 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 73.32 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 74.43 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 75.2 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 72.05 111.068 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 74.34 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 74.44 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 75.21 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 73.14 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 73.3 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 74.21 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 65.32 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 72.51 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 75.31 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 72.33 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 73.4 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 73.33 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 72.3 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 72.01 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 74.44 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 71.15 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 74.42 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 74.03 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 74.24 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 72.13 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 75.22 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 75.04 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 72.53 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.508 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 75.32 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 74.53 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 74.2 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 74.32 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 72.21 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 73.0 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 75.14 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 75.13 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 74.14 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 65.15 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 74.53 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 75.51 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 72.11 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.43 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 73.35 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 73.11 111.442 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 61.34 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 72.32 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 73.11 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 74.01 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -68.06 -21.44 64.99 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 74.44 113.483 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 59.77 7.18 1.02 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.549 2.74 . . . . 73.14 114.571 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.04 -90.35 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.879 -0.888 . . . . 73.23 110.879 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -127.27 148.55 50.22 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 118.029 0.915 . . . . 74.54 111.048 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -154.38 169.52 23.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.319 1.848 . . . . 65.31 108.306 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.53 163.14 27.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.035 0.534 . . . . 65.11 110.687 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.6 144.39 11.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 121.271 -0.893 . . . . 64.23 109.86 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -148.89 124.9 10.66 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.258 1.423 . . . . 74.43 111.723 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 N-CA-C 107.269 -1.382 . . . . 73.4 107.269 178.025 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 107.766 -2.133 . . . . 72.55 107.766 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -156.34 156.78 34.54 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.995 2.118 . . . . 71.54 105.86 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.9 178.59 39.46 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.507 -1.037 . . . . 71.44 110.507 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -142.9 -47.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.902 1.281 . . . . 73.44 108.251 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -61.49 -24.81 66.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.24 1.016 . . . . 72.31 111.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -112.43 97.03 6.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.496 2.318 . . . . 74.33 105.458 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -59.94 152.89 22.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.317 1.047 . . . . 75.33 111.451 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -126.46 156.15 73.33 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 125.113 1.365 . . . . 73.41 109.797 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 65.31 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 70.13 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 72.35 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 72.13 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 73.34 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 72.1 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 72.03 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.31 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 74.55 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 73.23 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 64.0 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 74.25 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 62.34 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 74.01 108.932 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 62.44 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 73.54 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 71.41 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.3 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 72.43 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 71.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 75.24 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 71.22 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 75.52 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 75.31 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 75.32 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 73.42 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 74.5 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 64.11 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 74.43 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 74.22 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 74.23 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 61.34 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 61.11 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 73.22 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 70.11 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 70.5 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 74.41 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 63.0 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 65.41 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 70.51 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 73.33 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 71.54 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 51.41 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 75.53 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 74.35 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 65.11 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 75.34 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 64.11 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 72.42 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 64.04 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 75.52 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 75.21 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 74.45 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.32 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 73.15 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 75.32 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 54.4 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 74.34 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 73.11 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 71.34 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 64.22 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.24 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 65.34 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 70.32 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 75.12 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 70.43 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.04 -23.6 66.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 72.51 112.883 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 45.43 70.53 0.35 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.644 3.178 . . . . 72.45 112.528 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.08 -10.45 0.17 Allowed Glycine 0 CA--C 1.532 1.113 0 CA-C-O 117.395 -1.78 . . . . 52.43 115.389 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 ttm 35.32 51.53 0.61 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.87 2.468 . . . . 71.23 113.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -134.87 162.9 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.276 1.43 . . . . 74.4 108.083 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -161.25 177.04 10.58 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.06 1.344 . . . . 72.03 108.219 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.25 133.53 22.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.134 -1.432 . . . . 74.54 107.134 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 t -71.91 173.74 7.91 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.582 1.182 . . . . 62.33 108.927 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 N-CA-C 103.801 -2.666 . . . . 72.22 103.801 176.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 109.378 -1.489 . . . . 65.14 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 m -139.43 150.93 45.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.297 1.049 . . . . 74.35 109.874 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.36 116.49 2.79 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 108.275 -1.93 . . . . 71.13 108.275 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -146.2 147.39 31.42 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.304 1.041 . . . . 75.25 109.252 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -110.26 -1.95 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 126.973 2.109 . . . . 74.11 112.673 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -126.66 145.09 50.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.852 1.206 . . . . 73.04 109.445 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -66.18 146.44 54.63 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.646 1.978 . . . . 75.44 110.695 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.12 163.55 56.97 Favored Pre-proline 0 N--CA 1.449 -0.499 0 C-N-CA 124.034 0.934 . . . . 72.24 109.729 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 74.14 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 74.34 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 75.44 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 74.51 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 74.55 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 70.52 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 52.31 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 73.23 111.601 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 74.42 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 74.5 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 74.21 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 73.14 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 73.3 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 75.1 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 71.33 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 71.32 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 64.43 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.34 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 71.05 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 72.4 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 75.24 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 74.34 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 73.01 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 74.13 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 75.21 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 75.14 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 75.01 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 73.34 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.33 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 74.13 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 72.11 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 71.41 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 75.31 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 74.13 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 74.52 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 74.32 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 71.23 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 64.22 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 63.34 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 72.21 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 62.02 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 65.11 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 72.01 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 75.44 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 75.51 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 73.44 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 72.44 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 65.41 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 73.44 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 74.44 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 74.03 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.88 -64.7 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -153.99 109.23 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.61 1.164 . . . . 71.43 109.589 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.36 -59.32 10.87 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.297 -0.721 . . . . 63.5 111.297 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.7 ttm -86.57 62.24 7.29 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.624 1.212 . . . . 71.01 109.695 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -60.26 -23.98 64.55 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.095 2.158 . . . . 73.41 114.861 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -148.21 174.92 11.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.981 1.312 . . . . 72.44 107.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.86 153.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 119.824 -1.797 . . . . 74.13 108.718 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.8 p -111.61 177.71 4.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 52.31 109.587 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.009 -1.478 . . . . 74.02 107.009 178.764 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 110.741 -0.944 . . . . 72.21 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 50.88 18.91 0.56 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.356 1.613 . . . . 74.4 115.356 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.54 84.18 0.33 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.21 -1.156 . . . . 73.42 110.21 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -83.77 145.62 28.61 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.16 -0.682 . . . . 72.3 109.16 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 p -71.7 -2.34 17.05 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.983 0.913 . . . . 64.42 112.821 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -141.01 174.33 10.62 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.24 1.816 . . . . 73.33 109.642 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -134.59 169.23 17.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 127.043 2.137 . . . . 55.52 106.358 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.57 137.93 31.91 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 52.24 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.52 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 75.34 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 61.3 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 71.43 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 74.22 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 71.14 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 75.02 112.919 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 62.04 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 73.3 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 75.43 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.51 107.725 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 64.55 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.41 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 62.31 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 72.04 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 74.02 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 70.42 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 71.1 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.51 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 70.32 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 72.53 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 73.23 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 72.23 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 63.44 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 74.03 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 63.01 109.126 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 73.51 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 73.4 111.189 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 74.2 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 74.15 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 62.21 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 73.44 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 73.13 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 71.55 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 72.35 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.35 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 50.2 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 75.02 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 71.11 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 75.21 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 62.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 75.22 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 72.44 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 74.33 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 74.45 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.42 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 74.53 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 75.51 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 64.22 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 74.15 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 61.34 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 74.14 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 72.11 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 73.21 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 62.21 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.4 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 72.41 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.86 -30.7 61.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 74.43 111.8 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.71 93.69 2.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.889 1.676 . . . . 73.25 111.564 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.67 6.11 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.522 -1.031 . . . . 63.23 110.522 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.11 87.27 2.7 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 124.144 0.978 . . . . 73.44 110.03 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.431 ' CG ' ' H ' ' A' ' 134' ' ' ASP . 63.5 t30 -127.02 -167.22 1.7 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.163 1.385 . . . . 73.44 107.887 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.431 ' H ' ' CG ' ' A' ' 133' ' ' ASN . 17.8 t70 -147.34 125.43 12.12 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.86 1.664 . . . . 64.2 107.296 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.01 158.51 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.887 0.767 . . . . 74.12 110.208 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 t -156.09 167.44 30.42 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.573 1.949 . . . . 75.4 106.811 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 C-N-CA 125.086 1.354 . . . . 71.54 107.398 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 110.118 -1.193 . . . . 75.55 110.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 173.89 15.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.886 1.274 . . . . 63.43 109.762 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.67 -176.8 38.63 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.363 1.935 . . . . 62.25 109.712 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -64.07 117.45 7.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.809 0.844 . . . . 73.55 109.241 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -75.44 -20.67 58.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 61.34 112.762 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.57 -54.28 30.17 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.475 0.71 . . . . 71.23 109.647 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -63.44 158.38 20.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.115 1.766 . . . . 74.41 113.214 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.06 154.09 94.27 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 125.114 1.366 . . . . 71.44 107.547 177.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 75.3 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 62.01 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 71.21 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 74.14 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 71.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 75.33 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 71.34 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 75.04 107.604 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 75.24 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 74.3 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 61.22 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 74.51 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 63.43 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 74.33 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 74.32 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 73.52 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 73.3 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 71.33 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 73.51 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 71.14 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 74.41 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 70.33 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 73.43 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 64.11 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 74.33 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.44 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 62.43 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 74.34 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 72.45 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 73.41 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 73.02 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 61.05 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 74.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 73.15 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 62.55 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 74.11 107.077 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 73.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 73.44 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 75.34 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 63.14 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 72.22 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 73.4 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 70.43 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 72.43 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 70.1 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 73.44 110.035 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 64.33 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 61.12 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 71.14 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 74.43 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 74.14 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 71.44 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 75.13 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 75.42 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 65.44 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 74.31 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 71.24 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -84.37 -62.45 1.55 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 72.02 110.53 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.4 13.94 1.46 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.227 1.411 . . . . 71.32 113.359 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.67 -5.92 18.55 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.512 2.006 . . . . 72.22 112.218 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.9 tpp -53.39 136.79 36.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.254 1.822 . . . . 73.44 110.575 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -65.02 154.21 38.43 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.639 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.92 173.99 10.5 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.439 -1.319 . . . . 74.1 107.439 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.25 -4.37 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 124.849 1.26 . . . . 72.14 110.469 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.1 m -70.88 104.05 2.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.551 1.541 . . . . 70.42 110.83 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 105.336 -2.098 . . . . 70.33 105.336 177.628 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 109.944 -1.262 . . . . 42.22 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -77.31 167.56 21.5 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 121.911 -0.758 . . . . 75.22 109.681 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.4 -171.75 31.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.198 -1.961 . . . . 60.54 108.198 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.2 118.58 21.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.135 -1.802 . . . . 71.24 106.135 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -60.59 -32.65 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.403 0.547 . . . . 73.41 110.535 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -115.27 118.09 32.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.537 1.535 . . . . 73.54 108.579 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.0 m -67.63 165.67 16.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.395 -1.706 . . . . 75.33 106.395 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.3 p -134.35 160.51 68.22 Favored Pre-proline 0 C--O 1.237 0.4 0 O-C-N 120.496 -1.377 . . . . 74.13 111.78 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 74.54 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 72.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.44 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.52 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 75.53 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 74.53 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 64.44 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 73.31 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 73.05 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 75.2 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 72.14 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 73.52 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 65.42 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 74.21 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 73.34 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 72.03 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 72.21 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.51 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 71.22 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 73.22 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 74.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 72.55 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 74.3 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 74.31 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 72.42 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 64.2 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 72.04 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 74.15 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 74.2 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 72.43 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 73.43 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 64.03 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 75.32 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.43 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 74.22 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 74.15 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 61.0 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.32 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 74.02 110.517 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 71.01 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 73.4 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 74.22 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 71.35 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 64.13 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 74.11 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 72.43 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 70.41 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 72.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 64.33 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 75.25 111.111 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 71.45 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 74.45 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 75.44 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -106.84 -28.0 10.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 72.13 112.096 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.92 -0.39 1.35 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.049 2.94 . . . . 74.44 114.744 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -121.28 -173.32 14.61 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.607 1.099 . . . . 73.34 112.925 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 82.1 mmm -69.39 106.21 2.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 106.286 -1.746 . . . . 73.53 106.286 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -139.92 134.27 31.35 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.955 0.883 . . . . 72.4 110.012 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.92 173.41 6.5 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 129.294 3.038 . . . . 70.23 110.465 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.4 m -129.43 41.16 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.456 1.902 . . . . 74.52 107.17 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -56.26 -26.91 53.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.51 1.124 . . . . 72.05 110.653 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.21 1.404 . . . . 73.34 108.793 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.895 0 N-CA-C 110.509 -1.036 . . . . 70.22 110.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -75.42 166.81 23.02 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 117.901 0.85 . . . . 74.04 110.334 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.25 160.18 27.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.659 -1.376 . . . . 72.2 109.659 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -135.95 -45.58 0.65 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.618 1.167 . . . . 74.11 109.573 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -61.52 -20.66 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.262 0.625 . . . . 65.25 111.507 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 24.0 81.91 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 131.62 3.968 . . . . 74.51 115.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -145.59 169.25 18.78 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.554 1.542 . . . . 74.05 107.938 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -158.62 147.93 14.75 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 125.228 1.411 . . . . 72.43 107.764 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 74.23 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.3 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 74.01 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 75.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 71.14 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 72.11 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 74.41 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 74.23 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 70.11 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 73.22 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 73.24 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 74.14 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 74.13 105.303 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.55 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 71.23 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.24 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 75.1 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 72.1 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 63.33 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 73.03 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 72.15 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.22 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 75.03 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 73.52 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 61.21 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 74.54 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 64.41 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 62.5 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.419 HD22 ' CD1' ' A' ' 120' ' ' ILE . 8.4 t30 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 73.41 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 73.3 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.5 109.786 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 74.21 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 70.22 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 74.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 60.44 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.52 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 73.11 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 75.44 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 72.14 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 74.24 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 74.33 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 64.42 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 43.15 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 75.53 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 72.43 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.25 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 74.3 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 75.44 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 74.03 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 72.42 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 74.4 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 72.21 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 74.53 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.419 ' CD1' HD22 ' A' ' 70' ' ' ASN . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 74.4 109.075 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 73.42 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 75.31 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 73.22 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 75.33 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 74.25 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 71.24 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -79.4 -64.59 1.15 Allowed 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -162.26 132.94 4.9 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.993 2.117 . . . . 74.14 106.3 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.09 53.76 0.42 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 109.3 -1.52 . . . . 43.13 109.3 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 67.3 2.47 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.117 1.367 . . . . 73.41 111.4 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 58.45 14.43 2.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.975 1.71 . . . . 71.53 113.524 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -80.61 164.73 22.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.802 1.241 . . . . 73.2 107.875 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.85 -18.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.674 1.19 . . . . 73.31 113.098 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.03 -72.29 0.67 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.439 -2.06 . . . . 73.45 105.439 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.418 0 C-N-CA 128.925 2.89 . . . . 75.15 106.32 179.081 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 54.22 106.847 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 71.11 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 63.32 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 53.43 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 108' ' ' THR . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 44.03 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 33' ' ' PHE . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 62.53 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 65.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 20.44 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 27' ' ' LEU . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 34.1 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 71.21 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 52.42 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 54.01 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 53.22 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 73.24 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 72.11 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 60.12 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 60.43 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 34.34 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 53.12 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 24.1 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 42.21 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 72.23 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 62.54 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 72.35 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.13 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 52.25 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 51.33 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 71.12 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 72.11 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 52.33 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 61.31 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 42.03 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 60.12 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 60.52 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.23 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 97' ' ' ILE . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 44.22 109.431 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 94' ' ' THR . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 65.54 108.781 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 34.13 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 52.01 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 74.33 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.11 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.21 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 62.34 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 43.05 113.419 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 42.41 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 62.22 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 41.24 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 61.54 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 74.51 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 98' ' ' ALA 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 42.45 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 62.24 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 72.44 113.111 -178.609 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 44.13 106.972 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 73.33 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 62.23 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 50.42 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 52.1 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 63.3 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 53.02 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 60.24 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 54.14 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 72.41 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 33' ' ' PHE . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 54.11 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 61.54 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 70.21 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 65.32 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 27' ' ' LEU . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 72.12 108.052 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 71.44 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 72.53 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 61.33 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 62.23 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 71.03 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.53 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 70.53 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 72.14 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 73.13 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 25.53 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.32 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 72.24 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.31 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 55.24 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 35.0 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.25 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 72.14 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 63.13 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 71.33 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 64.4 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 43.35 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 55.23 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 64.51 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 73.45 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 64.21 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 51.1 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 61.3 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 35.41 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 45.31 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 62.44 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 72.44 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 72.42 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.22 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 54.31 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.403 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 71.32 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 61.12 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 60.43 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 63.41 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 62.53 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 55.2 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 64.43 112.243 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 64.14 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 74.22 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 42.04 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 63.42 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 74.34 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 54.22 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 72.5 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 73.24 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 62.11 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 53.2 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 71.44 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 64.41 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 63.01 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 63.42 109.164 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 55.33 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 62.32 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 74.3 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 52.12 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 62.45 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 73.02 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 72.44 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 44.31 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 64.43 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 54.55 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 72.53 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 72.23 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 63.32 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 27' ' ' LEU . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.24 106.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 72.0 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 71.13 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 64.41 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 71.13 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 51.22 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 73.54 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 63.34 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 62.35 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 61.53 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.13 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 71' ' ' MET . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 70.23 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 68' ' ' ALA . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 71.51 110.431 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 63.02 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.2 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 55.21 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 41.32 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 54.03 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 55.44 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 71.44 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 62.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 43.53 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.12 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 64.14 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 60.33 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 53.14 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 94' ' ' THR . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 33.31 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 71.44 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 52.04 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 72.44 110.684 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 72.15 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.01 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 72.25 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 54.2 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 63.4 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 74.45 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 63.35 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 73.24 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 60.45 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.12 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 53.12 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.0 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 71.3 110.851 179.409 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 70.43 105.856 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 8' ' ' THR . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 54.23 117.557 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.11 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 61.44 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 74.34 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 61.43 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 72.23 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.0 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 72.25 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 71.34 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 65.34 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 53.31 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 65.53 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 64.31 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 64.04 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.23 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 27' ' ' LEU . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 62.43 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 64.43 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.24 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 55.24 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 63.03 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 61.31 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 61.42 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 44.14 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 62.21 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 74.31 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 43.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 52.53 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 71.34 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 64.32 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 71.42 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.33 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 61.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 45.22 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 61.44 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 72.31 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 34.14 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.32 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.14 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 71.2 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 71.41 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 61.51 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 63.25 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.3 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 43.21 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 55.42 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 63.41 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 64.35 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 70.53 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.635 HG23 HG12 ' A' ' 111' ' ' VAL . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 109' ' ' THR . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 70.33 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 73.41 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 42.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 73.32 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 98' ' ' ALA . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 63.02 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 64.02 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 61.13 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 60.44 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 73.23 111.728 179.07 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 103.02 -2.956 . . . . 70.5 103.02 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' A' ' 8' ' ' THR . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 74.05 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 61.4 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 60.2 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 60.22 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 72.01 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 63.31 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 65.53 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 70.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 32.45 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 74.33 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 62.31 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 72.45 106.284 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 61.54 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 60.12 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 64.44 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 54.32 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 61.53 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 61.34 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 65.11 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 61.13 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 63.11 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 70.01 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 60.55 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 54.4 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.0 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 72.43 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 72.22 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 72.22 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 73.32 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 62.12 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 64.45 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 55.51 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 65.32 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 54.32 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 55.1 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 44.52 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 73.24 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 61.11 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 71.35 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 71.23 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 43.53 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 70.32 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 63.23 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 53.42 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 52.43 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 40.31 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 53.04 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 97' ' ' ILE . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 43.23 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 50.33 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CE1' ' A' ' 33' ' ' PHE . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 72.43 110.151 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 61.44 110.166 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 43.44 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 74.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 61.43 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 55.23 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 106' ' ' LEU . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 42.33 109.742 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.03 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 62.12 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 71.53 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 63.53 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 72.32 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 98' ' ' ALA . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 53.34 110.632 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 55.31 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 55.24 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 64.34 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 62.31 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.14 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 62.21 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 p . . . . . 0 C--O 1.24 0.564 0 N-CA-C 109.446 -0.575 . . . . 62.12 109.446 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 65.1 110.313 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 55.45 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.1 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 73.35 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 50.52 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 72.41 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 70.1 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 34.52 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 55.32 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 64.24 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 51.41 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 53.31 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 73.54 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 61.35 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 61.23 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 71.33 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 63.45 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 64.12 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.12 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 61.41 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 52.2 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 64.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 63.2 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 72.32 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' ' HE3' ' A' ' 65' ' ' LYS . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 73.04 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 62' ' ' SER . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.15 111.461 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 62.45 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 54.35 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 35.34 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 72.13 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 40.03 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 73.13 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 61.43 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 65.54 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 64.12 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.22 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 64.14 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 72.54 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 61.32 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 63.34 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 53.31 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.0 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 94' ' ' THR . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 65.02 110.908 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 54.4 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 64.35 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 65.54 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 14.05 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.45 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.23 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.523 HG21 ' HB2' ' A' ' 98' ' ' ALA . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 52.13 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 74.33 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 52.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 62.41 113.752 -178.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.236 0.343 0 N-CA-C 108.385 -0.969 . . . . 64.54 108.385 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 52.0 110.014 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 51.02 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 45.44 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 65.31 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 62.33 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 50.24 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 54.53 110.494 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 53.13 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 64.21 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 72.0 112.299 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.14 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 64.44 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 53.33 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.14 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 42.23 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 45.25 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 71.04 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 73.1 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 55.44 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 63.14 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 60.14 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.1 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 63.14 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 73.3 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 71.13 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.34 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 73.2 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 65.02 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 62.44 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 53.43 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 61.11 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 65.41 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 62.52 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 71.35 108.575 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 64.45 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 63.01 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 50.24 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' ' HB1' ' A' ' 128' ' ' ALA . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 73.34 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 52.0 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 71.21 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 50.2 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 55.31 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 53.34 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' PHE . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 64.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.11 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.03 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 70.34 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 44.23 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 62.23 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.43 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 43.53 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 65.52 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 70.53 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 70.4 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 70.34 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 62.12 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 72.55 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 55.43 112.884 -179.499 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.236 0.388 0 CA-C-O 119.608 -0.234 . . . . 74.41 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 62.21 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 63.21 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 72.51 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 72.22 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 72.01 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 27' ' ' LEU . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 73.31 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.13 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 61.31 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 23' ' ' PHE . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 54.52 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 62.32 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 71.21 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CD1' HD21 ' A' ' 27' ' ' LEU . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 64.0 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.25 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 71.44 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 72.4 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 50.2 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 71.41 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 64.32 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 72.44 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 74.54 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 73.33 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 71.02 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 64.42 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 60.34 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 31.21 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 64.41 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 63.35 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 54.14 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 63.45 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 61.21 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 62.34 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 53.22 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 72.31 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 33.44 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 64.11 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 64.12 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 74.43 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 65.43 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 61.51 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 60.33 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 55.44 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 31.31 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.3 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.0 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 72.41 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.13 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 61.24 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 52.54 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 72.22 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 72.3 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.22 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 62.24 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 65.44 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 63.21 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 74.33 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 54.03 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.31 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 52.04 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 73.41 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 63.25 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 31.5 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 72.41 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 72.41 111.233 -179.079 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 72.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 73.3 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 64.23 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 64.23 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 42.41 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 63.11 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 53.43 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.23 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 72.22 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 41.42 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 61.44 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 64.53 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 63.02 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 53.33 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 72.05 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 70.33 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 72.34 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 71.54 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 65' ' ' LYS . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 65.34 110.165 178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.12 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.12 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 63.22 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HD2' HD21 ' A' ' 55' ' ' LEU . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 71.3 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 60.13 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.02 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 53.41 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 74.51 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 65.23 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 70.13 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 53.21 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 54.21 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 43.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 62.02 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 64.41 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.446 ' HA ' HD12 ' A' ' 97' ' ' ILE . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 71.52 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 94' ' ' THR . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 55.44 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 70.33 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 53.51 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 72.22 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 70.21 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 51.43 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 61.12 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 63.51 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 62.04 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 63.45 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 53.24 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 72.34 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 71.15 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 62.14 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 62.21 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 109.112 -0.699 . . . . 64.41 109.112 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 65.04 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 54.34 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 63.34 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 73.41 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 64.13 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 61.15 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 64.03 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 48' ' ' LEU . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 73.42 110.564 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 45.52 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 54.32 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 33' ' ' PHE . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 72.34 110.966 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 53.35 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 61.52 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 27' ' ' LEU . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.32 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 60.23 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 61.34 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 65.02 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 55.42 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 52.01 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 50.01 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 74.51 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 55.24 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 65.31 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 20' ' ' LEU . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 53.12 109.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 62.23 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 61.41 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 53.14 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 63.14 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 71.52 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 64.05 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 72.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 65.22 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 72.45 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 63.54 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 55.42 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 52.12 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 44.21 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 73.44 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 62.12 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 23.32 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.2 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 41.35 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.14 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.21 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 63.13 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 72.13 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 97' ' ' ILE . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 62.13 109.705 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 44.12 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 61.01 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 71.14 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 51.12 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 64.21 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 73.25 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 72.04 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 41.32 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 74.02 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 72.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 65.35 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 71.14 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 60.21 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.25 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.23 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 41.04 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 72.05 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 65.32 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 72.4 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 44.44 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' ALA . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 54.43 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 63.52 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.11 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 73.51 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 72.23 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.33 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 35.13 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 65.23 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 63.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 97' ' ' ILE . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.12 108.306 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 63.32 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 73.31 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 73.52 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 40.45 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 61.02 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 71.14 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 62.42 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 72.25 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 65.43 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 71.42 109.894 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 24.04 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 63.12 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 72.21 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 63.53 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 55.31 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 54.2 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.597 HD21 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 52.43 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 44.44 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 70.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 72.54 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 97' ' ' ILE . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.23 109.545 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 62.53 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 70.44 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 73.11 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 63.33 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 70.21 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 97' ' ' ILE . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 64.31 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.505 HD13 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 73.33 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 74.41 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 71.44 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 74.4 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 74.42 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 55.41 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 73.54 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 62.01 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 62.35 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.59 HG21 ' HB2' ' A' ' 98' ' ' ALA . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 72.23 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 72.45 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 71.23 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 71.43 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 52.23 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.765 -0.457 . . . . 75.55 109.765 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 73.51 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 70.02 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 63.4 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 74.53 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 65.3 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 72.11 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 72.21 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 32.01 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 63.12 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 71.43 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HE1' HD11 ' A' ' 97' ' ' ILE . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 63.32 108.772 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 50.42 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 72.4 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 62.45 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.22 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 73.5 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.33 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 52.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 73.33 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 32.31 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 70.33 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 73.53 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 41.15 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 73.52 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 53.42 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 72.04 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 72.43 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 65.11 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 73.2 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 72.52 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 61.3 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 74.14 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 54.22 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 55.21 108.546 178.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 63.52 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 73.34 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.13 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 44.22 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 61.31 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 60.31 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 61.44 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 63.41 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 97' ' ' ILE . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 64.23 112.458 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 61.01 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 54.41 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 73.03 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 61.1 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 40.05 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 62.13 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 73.44 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 43.11 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 98' ' ' ALA . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 72.42 112.929 -178.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 62.25 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 71.05 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 71.35 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 62.54 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.14 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 108.384 -0.969 . . . . 70.35 108.384 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 54.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 62.22 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 61.11 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 62.44 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 71.33 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 60.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 64.22 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 73.11 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 63.44 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.02 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 64.23 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 42.11 112.549 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 70.22 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 72.51 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 73.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 64.33 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.32 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 70.2 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 55.52 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 73.1 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 72.12 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.23 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 44.23 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 62.54 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 64.43 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 62.54 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 62.23 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 73.32 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 73.25 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 63.42 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 45.11 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 43.21 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 50.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 51.55 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 52.44 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.03 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 63.5 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 41.21 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 60.12 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 73.4 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 64.54 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 64.13 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 71.32 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 63.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.14 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.03 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 52.44 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 63.33 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 40.14 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 70.33 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 52.23 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 72.4 111.192 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 119.099 -0.477 . . . . 64.14 112.089 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 61.15 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 51.45 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 50.3 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 55.35 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.23 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 38' ' ' LEU . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 51.42 108.959 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 64.22 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 44.03 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 51.34 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 51.22 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 27' ' ' LEU . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 63.05 111.068 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 63.43 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 63.24 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 65.13 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 63.21 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 72.33 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 73.43 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 52.24 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 62.44 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 43.32 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 50.13 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 65.53 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 63.12 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 44.15 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 63.04 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 65.23 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 64.03 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 45.4 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 73.04 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 63.4 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 41.34 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 71.35 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 54.33 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 71.02 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 73.13 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 62.41 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 73.13 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 53.44 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 54.43 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 61.35 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 74.02 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 64.51 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 54.02 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 52.5 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 73.21 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 63.44 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 63.22 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.1 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 64.42 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.517 HG21 ' HB2' ' A' ' 98' ' ' ALA . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 72.44 111.442 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 60.02 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 71.42 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 71.35 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 65.44 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 54.42 113.483 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.236 0.375 0 N-CA-C 109.797 -0.445 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 53.45 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 65.05 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 64.42 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 63.44 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 71.51 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 71.12 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 71.22 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.23 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 73.42 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 61.22 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 61.54 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 62.54 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 55.13 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HE1' HD11 ' A' ' 97' ' ' ILE . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 70.05 108.932 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 60.42 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 72.03 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 64.51 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.13 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 64.0 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 61.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 72.34 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 52.34 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 73.21 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 74.21 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 73.31 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 55.44 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 71.13 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 40.31 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 71.13 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 61.32 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 71.24 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 60.53 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 34.03 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 71.11 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 52.04 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 64.31 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 65.01 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 53.4 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 51.4 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 54.25 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 72.0 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 70.15 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 33.4 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 53.51 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 62.21 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 55.23 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 63.41 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' ' 97' ' ' ILE . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 63.0 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 64.23 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 62.42 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 73.55 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 73.02 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 40.33 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.14 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 32.4 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 63.33 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 51.23 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 62.5 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 51.3 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 54.32 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 54.55 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.2 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 61.45 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 43.23 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 71.22 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 62.25 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 71.3 112.883 -179.516 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.729 -0.471 . . . . 72.24 109.729 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 73.03 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 71.42 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 62.33 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 62.21 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 71.22 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 61.51 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 31.01 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 71.12 111.601 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 53.24 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 55.31 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 63.12 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 61.31 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 62.42 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 64.45 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 64.32 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 53.22 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 42.5 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.0 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 70.14 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 71.43 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 74.25 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 63.31 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 34.51 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 72.54 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 62.24 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 73.32 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 72.52 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 72.22 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.11 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 71.41 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 64.4 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 70.4 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 73.2 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 44.43 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 71.5 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 51.3 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 64.42 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD21 ' HB1' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 53.51 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 42.35 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 53.31 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 44.32 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 55.3 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 41.15 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 63.13 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 63.34 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 71.51 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 70.41 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 63.25 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 55.24 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 71.34 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 72.33 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 51.32 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 64.31 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 55.34 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 61.54 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 71.43 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 63.11 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 73.43 112.919 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 60.43 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 53.31 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 54.34 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CD1' HD11 ' A' ' 27' ' ' LEU . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.32 107.725 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 61.02 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.31 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 53.15 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 61.42 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 61.24 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 64.51 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 61.04 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.4 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 61.42 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 63.11 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 63.32 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 60.45 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 54.03 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 42.13 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.603 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 62.04 109.126 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 72.13 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 55' ' ' LEU . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 72.15 111.189 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 63.24 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 73.21 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 61.33 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 61.35 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 64.41 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 43.52 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 62.44 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.21 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 35.21 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 61.22 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 60.54 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 34.11 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 61.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 74.23 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 63.24 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 64.02 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 54.32 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.14 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 73.44 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 73.52 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 52.5 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 50.22 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 52.01 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 63.13 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 71.13 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 72.44 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 42.24 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.33 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 64.24 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 72.33 111.8 179.319 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 107.547 -1.279 . . . . 71.44 107.547 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 73.52 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 51.05 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 35.41 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 44.02 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 52.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 43.32 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 64.32 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 71.3 107.604 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 61.11 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 70.52 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 52.13 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 52.31 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 53.42 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 72.14 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 71.55 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 44.15 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 72.53 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 52.22 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 70.24 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 64.02 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 72.54 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 62.03 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 62.1 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 61.01 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 63.11 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.13 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 32.12 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 44.43 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 72.44 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 54.45 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 42.23 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 72.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 69' ' ' LEU . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 70.41 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 53.33 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 66' ' ' LEU . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 71.34 107.077 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 62.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 64.12 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 70.31 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 60.13 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 70.02 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 61.24 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 64.42 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 61.32 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 64.41 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 128' ' ' ALA . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 72.33 110.035 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 61.15 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 44.23 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 44.04 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 73.44 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 54.11 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 64.34 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 72.33 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 34.01 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 64.42 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 98' ' ' ALA . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 60.51 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 78' ' ' ALA . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 62.21 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 71.41 110.53 -179.556 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 73.3 p . . . . . 0 C--O 1.237 0.4 0 CA-C-O 119.431 -0.318 . . . . 74.13 111.78 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 73.53 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 64.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.32 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.34 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 71.52 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 71.13 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 53.13 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 71.42 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 70.53 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 71.31 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 64.22 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 64.24 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 61.13 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 97' ' ' ILE . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 61.55 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 65.53 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 64.53 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 62.15 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.0 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 32.14 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 71.43 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 73.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 65.4 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 41.44 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 71.22 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 64.52 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 45.11 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 71.54 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 21.33 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 71.12 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 65.41 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 70.11 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 53.44 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 72.01 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.14 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 64.44 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 97' ' ' ILE . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 71.32 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 55.41 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.11 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 97' ' ' ILE 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 94' ' ' THR . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 72.24 110.517 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 63.51 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 50.43 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 71.45 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 64.32 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 63.32 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 71.23 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 70.31 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 44.23 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 62.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 53.15 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 98' ' ' ALA . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 54.21 111.111 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 61.13 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 72.11 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 74.31 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 64.23 112.096 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.764 -1.198 . . . . 72.43 107.764 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 64.21 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.23 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 61.21 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 73.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 64.11 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 65.34 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 73.32 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 71.34 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 61.24 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 63.32 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 71.35 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 72.45 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HE1' HD11 ' A' ' 97' ' ' ILE . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 65.35 105.303 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.24 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 61.51 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.12 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 72.14 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 70.31 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 63.1 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 55.14 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 72.42 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 51.22 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.03 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 71.1 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 72.23 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 54.44 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 55.42 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 51.35 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 52.35 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 64.34 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 71.21 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 HD13 ' A' ' 97' ' ' ILE . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.31 109.786 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 72.4 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 62.01 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 71.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 53.23 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.15 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 14.03 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 64.03 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 64.44 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 72.42 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 97' ' ' ILE . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 73.23 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 15.24 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 42.13 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 61.32 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 71.04 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.21 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 71.42 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 73.11 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 52.15 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 62.01 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 63.3 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 71.22 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 73.55 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 63.21 109.075 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 63.52 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 71.01 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 64.24 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 63.23 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 65.01 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 43.13 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 N-CA-C 109.255 -1.538 . . . . 43.03 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -145.45 -175.69 4.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.816 1.646 . . . . 60.31 107.466 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.36 -104.85 0.25 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 106.088 -2.805 . . . . 62.13 106.088 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.93 2.46 0.4 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.649 2.38 . . . . 64.11 115.62 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 p -83.07 4.23 27.11 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.274 1.43 . . . . 72.32 113.885 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -143.79 114.68 7.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.274 1.429 . . . . 65.34 107.238 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 p -142.92 109.7 5.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.27 -1.752 . . . . 73.51 106.27 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.86 155.29 71.17 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 54.22 106.847 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 71.11 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 63.32 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 53.43 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 108' ' ' THR . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 44.03 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 33' ' ' PHE . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 62.53 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 65.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 20.44 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 27' ' ' LEU . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 34.1 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 71.21 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 52.42 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 54.01 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 53.22 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 73.24 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 72.11 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 60.12 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 60.43 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 34.34 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 53.12 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 24.1 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 42.21 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 72.23 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 62.54 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 72.35 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.13 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 52.25 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 51.33 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 71.12 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 72.11 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 52.33 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 61.31 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 42.03 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 60.12 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 60.52 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.23 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 97' ' ' ILE . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 44.22 109.431 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 94' ' ' THR . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 65.54 108.781 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 34.13 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 52.01 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 74.33 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.11 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.21 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 62.34 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 43.05 113.419 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 42.41 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 62.22 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 41.24 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 61.54 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 74.51 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 98' ' ' ALA 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 42.45 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 62.24 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.96 -46.05 66.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 72.44 113.111 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 44.77 41.34 4.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.373 2.269 . . . . 63.51 112.076 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.3 -136.09 5.79 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.102 -1.999 . . . . 63.41 108.102 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mmt -128.82 81.91 2.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 126.573 1.949 . . . . 74.22 107.343 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.14 -16.9 62.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 114.322 1.231 . . . . 62.33 114.322 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -117.76 163.05 17.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.132 1.333 . . . . 54.45 110.406 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.09 176.32 4.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.344 1.458 . . . . 64.52 110.236 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -144.14 162.01 37.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.768 2.027 . . . . 63.45 108.453 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 104.916 -2.253 . . . . 71.41 104.916 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 0 N-CA-C 108.853 -1.699 . . . . 71.41 108.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -63.86 161.31 15.73 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 117.87 0.835 . . . . 64.43 108.929 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 92.96 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.021 -1.561 . . . . 64.24 114.417 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -67.96 29.98 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.966 2.507 . . . . 75.1 113.082 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.98 -24.78 66.39 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.325 -1.485 . . . . 73.21 110.116 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.0 m170 39.71 63.44 1.02 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 126.962 2.105 . . . . 74.23 110.927 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -142.78 147.7 35.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.519 -0.549 . . . . 62.32 109.519 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.03 144.52 92.94 Favored Pre-proline 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 44.13 106.972 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 73.33 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 62.23 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 50.42 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 52.1 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 63.3 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 53.02 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 60.24 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 54.14 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 72.41 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 33' ' ' PHE . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 54.11 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 61.54 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 70.21 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 65.32 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 27' ' ' LEU . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 72.12 108.052 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 71.44 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 72.53 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 61.33 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 62.23 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 71.03 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.53 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 70.53 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 72.14 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 73.13 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 25.53 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.32 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 72.24 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.31 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 55.24 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 35.0 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.25 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 72.14 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 63.13 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 71.33 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 64.4 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 43.35 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 55.23 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 64.51 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 73.45 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 64.21 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 51.1 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 61.3 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 35.41 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 45.31 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 62.44 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 72.44 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 72.42 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.22 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 54.31 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.403 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 71.32 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 61.12 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 60.43 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 63.41 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 62.53 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 55.2 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 64.43 112.243 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 64.14 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 74.22 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 42.04 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 63.42 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 74.34 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 54.22 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 72.5 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 73.24 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 62.11 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 53.2 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 71.44 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 64.41 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 63.01 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -89.82 -49.22 6.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.94 102.44 0.47 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.465 1.106 . . . . 60.5 109.159 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.06 -27.49 64.94 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.439 1.019 . . . . 71.54 112.042 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.3 mtp -132.31 96.18 3.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.614 -1.995 . . . . 61.33 105.614 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -120.2 -177.27 3.39 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.544 1.538 . . . . 74.4 108.349 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.42 155.05 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.648 -1.242 . . . . 75.53 107.648 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -156.89 154.61 5.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.29 -1.004 . . . . 53.43 108.29 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.5 167.55 21.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.106 -1.072 . . . . 72.34 108.106 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 107.067 -1.457 . . . . 65.34 107.067 179.317 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.053 -1.619 . . . . 51.53 109.053 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.24 158.52 31.21 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.984 1.392 . . . . 74.12 111.785 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.17 -113.23 3.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 104.744 -3.342 . . . . 33.24 104.744 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.04 0.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.628 2.371 . . . . 71.34 116.276 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -66.01 -59.15 4.09 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 125.119 1.368 . . . . 62.3 107.922 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.68 133.64 50.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.617 1.967 . . . . 74.05 108.261 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -145.55 129.76 17.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.248 -1.76 . . . . 72.13 106.248 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.91 147.55 79.11 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 63.42 109.164 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 55.33 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 62.32 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 74.3 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 52.12 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 62.45 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 73.02 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 72.44 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 44.31 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 64.43 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 54.55 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 72.53 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 72.23 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 63.32 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 27' ' ' LEU . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.24 106.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 72.0 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 71.13 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 64.41 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 71.13 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 51.22 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 73.54 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 63.34 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 62.35 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 61.53 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.13 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 71' ' ' MET . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 70.23 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 68' ' ' ALA . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 71.51 110.431 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 63.02 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.2 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 55.21 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 41.32 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 54.03 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 55.44 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 71.44 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 62.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 43.53 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.12 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 64.14 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 60.33 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 53.14 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 94' ' ' THR . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 33.31 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 71.44 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 52.04 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 72.44 110.684 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 72.15 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.01 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 72.25 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 54.2 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 63.4 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 74.45 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 63.35 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 73.24 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 60.45 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.12 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 53.12 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.0 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -80.7 -15.42 56.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 71.3 110.851 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 53.81 42.82 31.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.472 2.309 . . . . 74.35 109.569 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 177.49 150.11 8.27 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.564 -1.014 . . . . 73.14 110.564 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.32 164.27 14.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.292 1.037 . . . . 73.53 109.546 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -149.17 -165.91 2.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.563 1.545 . . . . 64.22 108.829 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.29 165.37 26.32 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.433 -1.417 . . . . 74.33 111.723 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.2 p -165.31 150.07 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.18 1.792 . . . . 54.21 107.441 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.9 p -79.78 174.64 11.38 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.372 1.069 . . . . 71.15 111.266 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 N-CA-C 108.059 -1.089 . . . . 45.43 108.059 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.562 0 N-CA-C 111.197 -0.761 . . . . 64.4 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -77.62 94.78 4.44 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 104.936 -2.246 . . . . 64.13 104.936 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.3 -144.33 3.89 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.851 -1.3 . . . . 74.13 109.851 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -138.68 113.46 9.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.894 -1.15 . . . . 63.44 107.894 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -110.05 -5.17 15.48 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.217 1.191 . . . . 65.2 114.217 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -156.93 163.77 38.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.728 -1.582 . . . . 63.12 106.728 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.0 p -113.83 133.59 55.31 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.818 1.19 . . . . 70.0 110.014 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -151.98 146.75 18.91 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 70.43 105.856 179.268 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 8' ' ' THR . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 54.23 117.557 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.11 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 61.44 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 74.34 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 61.43 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 72.23 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.0 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 72.25 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 71.34 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 65.34 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 53.31 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 65.53 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 64.31 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 64.04 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.23 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 27' ' ' LEU . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 62.43 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 64.43 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.24 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 55.24 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 63.03 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 61.31 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 61.42 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 44.14 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 62.21 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 74.31 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 43.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 52.53 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 71.34 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 64.32 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 71.42 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.33 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 61.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 45.22 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 61.44 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 72.31 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 34.14 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.32 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.14 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 71.2 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 71.41 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 61.51 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 63.25 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.3 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 43.21 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 55.42 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 63.41 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 64.35 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 70.53 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.635 HG23 HG12 ' A' ' 111' ' ' VAL . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 109' ' ' THR . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 70.33 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 73.41 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 42.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 73.32 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 98' ' ' ALA . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 63.02 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 64.02 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 61.13 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 60.44 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.96 -31.36 71.88 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 73.23 111.728 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 50.44 39.08 19.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.006 0.922 . . . . 72.33 112.521 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -164.43 -175.6 35.4 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.601 2.048 . . . . 63.01 109.419 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.2 ttm -133.41 47.16 2.5 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.61 1.164 . . . . 61.12 108.718 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -77.09 73.08 3.67 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.115 -1.068 . . . . 65.24 108.115 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.29 35.9 2.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.606 2.362 . . . . 75.34 112.207 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.1 159.84 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.611 1.164 . . . . 71.15 110.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 157.11 36.9 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.867 -0.52 . . . . 73.43 111.216 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.801 2.04 . . . . 75.14 107.695 178.784 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.461 0 N-CA-C 108.88 -1.688 . . . . 42.53 108.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m 59.85 -10.0 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 117.196 2.295 . . . . 70.53 117.196 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.62 14.67 2.44 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 121.445 1.93 . . . . 71.33 114.229 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -152.8 -54.89 0.12 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.138 2.175 . . . . 73.13 108.757 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -73.85 -2.86 25.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 116.096 1.887 . . . . 72.31 116.096 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -126.82 89.69 3.03 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.638 1.563 . . . . 74.34 110.217 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -89.33 -179.13 5.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 105.741 -1.948 . . . . 74.34 105.741 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -147.05 143.02 17.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 103.02 -2.956 . . . . 70.5 103.02 178.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' A' ' 8' ' ' THR . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 74.05 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 61.4 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 60.2 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 60.22 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 72.01 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 63.31 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 65.53 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 70.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 32.45 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 74.33 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 62.31 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 72.45 106.284 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 61.54 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 60.12 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 64.44 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 54.32 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 61.53 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 61.34 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 65.11 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 61.13 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 63.11 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 70.01 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 60.55 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 54.4 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.0 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 72.43 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 72.22 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 72.22 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 73.32 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 62.12 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 64.45 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 55.51 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 65.32 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 54.32 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 55.1 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 44.52 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 73.24 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 61.11 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 71.35 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 71.23 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 43.53 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 70.32 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 63.23 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 53.42 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 52.43 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 40.31 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 53.04 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 97' ' ' ILE . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 43.23 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 50.33 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CE1' ' A' ' 33' ' ' PHE . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 72.43 110.151 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 61.44 110.166 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 43.44 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 74.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 61.43 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 55.23 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 106' ' ' LEU . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 42.33 109.742 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.03 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 62.12 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 71.53 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 63.53 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 72.32 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 98' ' ' ALA . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 53.34 110.632 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 55.31 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 55.24 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 64.34 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 62.31 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.14 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 62.21 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.45 ' C ' ' H ' ' A' ' 131' ' ' GLY . 16.8 mm-40 -72.53 -62.37 1.47 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.68 -21.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.245 3.018 . . . . 54.54 113.36 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 129' ' ' GLN . . . -75.52 -174.25 35.27 Favored Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 127.408 2.432 . . . . 64.24 111.657 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.4 ttt -99.24 -90.45 0.3 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.57 1.548 . . . . 75.42 108.133 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -153.43 170.16 21.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.328 1.451 . . . . 62.54 108.175 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -135.6 173.16 12.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.586 1.955 . . . . 54.1 108.927 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.53 164.42 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 124.743 1.217 . . . . 65.54 110.529 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -84.38 -179.4 7.17 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 123.094 1.426 . . . . 72.02 110.04 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 1 C-N-CA 135.083 5.353 . . . . 74.53 102.404 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.64 0 N-CA-C 108.649 -1.78 . . . . 44.12 108.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.56 83.71 3.95 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.596 -1.261 . . . . 75.02 107.596 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 -167.04 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.207 -0.757 . . . . 72.32 111.207 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -71.85 90.35 1.11 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.091 0.957 . . . . 64.23 109.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -49.95 62.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.745 -0.835 . . . . 75.24 108.745 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -160.53 144.9 14.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.424 1.49 . . . . 64.35 107.979 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -145.18 104.91 4.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.034 -1.099 . . . . 71.02 108.034 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 p -134.08 156.18 79.4 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 121.471 -0.768 . . . . 62.12 109.446 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 65.1 110.313 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 55.45 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.1 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 73.35 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 50.52 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 72.41 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 70.1 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 34.52 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 55.32 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 64.24 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 51.41 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 53.31 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 73.54 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 61.35 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 61.23 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 71.33 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 63.45 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 64.12 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.12 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 61.41 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 52.2 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 64.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 63.2 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 72.32 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' ' HE3' ' A' ' 65' ' ' LYS . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 73.04 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 62' ' ' SER . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.15 111.461 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 62.45 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 54.35 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 35.34 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 72.13 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 40.03 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 73.13 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 61.43 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 65.54 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 64.12 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.22 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 64.14 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 72.54 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 61.32 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 63.34 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 53.31 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.0 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 94' ' ' THR . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 65.02 110.908 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 54.4 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 64.35 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 65.54 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 14.05 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.45 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.23 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.523 HG21 ' HB2' ' A' ' 98' ' ' ALA . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 52.13 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 74.33 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 52.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -74.27 -22.92 59.1 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 62.41 113.752 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 54.34 16.36 1.22 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.053 1.741 . . . . 53.53 114.131 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 174.43 162.56 26.27 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 108.621 -1.792 . . . . 45.12 108.621 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 13.5 ptp -165.57 133.78 3.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.311 1.444 . . . . 73.51 107.449 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.13 -55.03 38.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.977 0.911 . . . . 64.41 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.94 168.86 18.77 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 128.872 2.869 . . . . 71.12 104.644 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.4 p -124.79 150.7 29.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.099 0.959 . . . . 72.35 110.553 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 t -55.62 -67.37 0.29 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.834 2.054 . . . . 72.52 112.696 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 124.889 1.276 . . . . 61.15 110.484 -178.543 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 N-CA-C 111.365 -0.694 . . . . 75.52 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 -172.83 2.87 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.304 1.441 . . . . 72.22 109.585 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.96 -174.01 55.32 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 121.495 0.497 . . . . 70.33 112.359 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -60.99 156.73 17.05 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.81 1.644 . . . . 63.23 109.333 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -68.43 -55.4 12.01 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.276 -1.009 . . . . 73.41 108.276 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -65.03 128.97 37.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.243 1.417 . . . . 74.42 110.226 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -146.31 164.68 31.6 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.593 -1.632 . . . . 72.11 106.593 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.531 ' H ' HG22 ' A' ' 11' ' ' THR . 23.1 p -141.52 163.51 40.78 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 124.882 1.273 . . . . 64.54 108.385 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' THR . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 52.0 110.014 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 51.02 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 45.44 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 65.31 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 62.33 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 50.24 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 54.53 110.494 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 53.13 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 64.21 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 72.0 112.299 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.14 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 64.44 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 53.33 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.14 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 42.23 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 45.25 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 71.04 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 73.1 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 55.44 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 63.14 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 60.14 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.1 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 63.14 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 73.3 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 71.13 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.34 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 73.2 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 65.02 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 62.44 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 53.43 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 61.11 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 65.41 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 62.52 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 71.35 108.575 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 64.45 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 63.01 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 50.24 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' ' HB1' ' A' ' 128' ' ' ALA . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 73.34 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 52.0 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 71.21 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 50.2 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 55.31 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 53.34 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' PHE . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 64.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.11 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.03 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 70.34 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 44.23 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 62.23 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.43 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 43.53 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 65.52 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 70.53 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 70.4 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 70.34 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 62.12 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 72.55 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -74.43 -21.0 59.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 55.43 112.884 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.25 51.98 12.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.19 1.796 . . . . 63.21 110.222 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.5 103.93 0.21 Allowed Glycine 0 C--N 1.338 0.691 0 CA-C-O 119.52 -0.6 . . . . 64.04 112.38 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.06 162.13 27.57 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.428 -0.953 . . . . 61.42 108.428 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.9 164.34 27.13 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.575 1.15 . . . . 71.22 111.363 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.92 -57.94 4.82 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.447 1.099 . . . . 73.23 108.94 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.94 128.85 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.443 -0.577 . . . . 74.35 109.443 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.3 m -138.67 166.38 24.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.011 1.324 . . . . 52.1 108.765 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.812 1.645 . . . . 75.41 106.808 179.011 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.764 -0.935 . . . . 72.2 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -104.87 -6.89 19.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.83 1.252 . . . . 70.43 111.978 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.57 -19.27 0.1 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-O 118.47 -1.183 . . . . 61.5 115.743 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -84.75 77.3 10.09 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.15 1.975 . . . . 74.44 109.788 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -109.09 -12.63 14.81 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 115.435 1.643 . . . . 74.15 115.435 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -148.22 84.54 1.51 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.111 1.323 . . . . 74.13 111.477 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -68.52 116.18 8.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.043 -1.095 . . . . 62.13 108.043 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p -147.23 161.94 34.49 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.385 -0.822 . . . . 74.41 111.334 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 62.21 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 63.21 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 72.51 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 72.22 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 72.01 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 27' ' ' LEU . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 73.31 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.13 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 61.31 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 23' ' ' PHE . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 54.52 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 62.32 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 71.21 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CD1' HD21 ' A' ' 27' ' ' LEU . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 64.0 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.25 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 71.44 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 72.4 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 50.2 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 71.41 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 64.32 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 72.44 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 74.54 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 73.33 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 71.02 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 64.42 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 60.34 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 31.21 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 64.41 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 63.35 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 54.14 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 63.45 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 61.21 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 62.34 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 53.22 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 72.31 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 33.44 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 64.11 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 64.12 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 74.43 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 65.43 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 61.51 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 60.33 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 55.44 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 31.31 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.3 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.0 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 72.41 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.13 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 61.24 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 52.54 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 72.22 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 72.3 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.22 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 62.24 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 65.44 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 63.21 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 74.33 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 54.03 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.31 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 52.04 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 73.41 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 63.25 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 31.5 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 72.41 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -107.03 -48.97 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 72.41 111.233 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.83 164.05 39.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.069 1.348 . . . . 71.44 109.929 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.81 171.19 19.76 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.067 1.318 . . . . 33.03 113.319 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.2 ptp 39.53 18.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 130.104 3.362 . . . . 75.53 116.573 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -47.46 123.86 6.22 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.312 1.445 . . . . 74.45 111.339 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -107.85 139.86 41.81 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 102.733 -3.062 . . . . 74.11 102.733 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 m -99.76 173.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 124.157 0.983 . . . . 75.53 112.428 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 12.64 7.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.134 1.374 . . . . 71.43 112.888 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 N-CA-C 107.174 -1.417 . . . . 70.21 107.174 178.524 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.698 0 N-CA-C 108.622 -1.791 . . . . 73.31 108.622 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -117.8 165.96 13.03 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.402 1.081 . . . . 62.53 110.06 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.5 43.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.112 -1.382 . . . . 61.1 115.463 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -68.55 137.81 54.63 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.854 1.827 . . . . 73.35 108.497 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -67.2 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.93 1.085 . . . . 64.22 113.93 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -146.25 165.36 29.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.396 1.879 . . . . 65.33 107.63 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 m -128.1 103.86 7.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 106.65 -1.611 . . . . 74.14 106.65 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -87.12 141.13 32.77 Favored Pre-proline 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 72.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 73.3 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 64.23 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 64.23 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 42.41 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 63.11 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 53.43 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.23 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 72.22 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 41.42 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 61.44 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 64.53 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 63.02 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 53.33 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 72.05 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 70.33 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 72.34 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 71.54 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 65' ' ' LYS . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 65.34 110.165 178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.12 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.12 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 63.22 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HD2' HD21 ' A' ' 55' ' ' LEU . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 71.3 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 60.13 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.02 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 53.41 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 74.51 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 65.23 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 70.13 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 53.21 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 54.21 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 43.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 62.02 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 64.41 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.446 ' HA ' HD12 ' A' ' 97' ' ' ILE . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 71.52 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 94' ' ' THR . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 55.44 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 70.33 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 53.51 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 72.22 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 70.21 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 51.43 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 61.12 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 63.51 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 62.04 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 63.45 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 53.24 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 72.34 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 71.15 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 62.14 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 62.21 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -106.97 -16.92 14.33 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 49.68 -0.79 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.365 3.066 . . . . 72.41 117.632 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -169.4 -2.82 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 CA-C-N 120.991 1.723 . . . . 74.14 115.267 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 mmt 52.46 32.7 11.81 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.026 1.862 . . . . 71.13 116.026 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.17 166.63 7.58 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.274 1.397 . . . . 72.23 109.747 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -74.0 169.56 17.23 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.529 -0.732 . . . . 73.35 112.927 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 136' ' ' SER . 9.7 p -154.93 178.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.62 1.568 . . . . 72.11 108.954 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.5 m -132.78 134.62 44.94 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.273 1.829 . . . . 64.4 106.835 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.845 2.058 . . . . 72.34 107.088 179.345 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 N-CA-C 110.464 -1.054 . . . . 51.41 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m 44.86 46.85 9.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.02 0.928 . . . . 64.05 112.986 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.93 -133.79 0.9 Allowed Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.599 -1.8 . . . . 63.23 108.599 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 56.73 9.47 0.59 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.457 1.28 . . . . 73.0 114.457 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.78 19.74 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 120.462 -1.398 . . . . 64.52 110.424 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -73.32 100.62 3.21 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 106.225 -1.768 . . . . 70.44 106.225 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -106.05 159.53 15.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.038 0.835 . . . . 75.44 109.828 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.45 150.66 37.81 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 124.185 0.994 . . . . 64.41 109.112 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 65.04 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 54.34 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 63.34 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 73.41 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 64.13 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 61.15 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 64.03 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 48' ' ' LEU . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 73.42 110.564 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 45.52 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 54.32 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 33' ' ' PHE . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 72.34 110.966 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 53.35 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 61.52 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 27' ' ' LEU . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.32 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 60.23 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 61.34 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 65.02 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 55.42 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 52.01 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 50.01 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 74.51 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 55.24 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 65.31 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 20' ' ' LEU . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 53.12 109.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 62.23 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 61.41 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 53.14 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 63.14 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 71.52 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 64.05 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 72.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 65.22 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 72.45 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 63.54 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 55.42 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' HB1' HG11 ' A' ' 135' ' ' VAL . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 52.12 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 44.21 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 73.44 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 62.12 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 23.32 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.2 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 41.35 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.14 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.21 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 63.13 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 72.13 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 97' ' ' ILE . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 62.13 109.705 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 44.12 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 61.01 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 71.14 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 51.12 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 64.21 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 73.25 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 72.04 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 41.32 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 74.02 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 72.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 65.35 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 71.14 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 60.21 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.25 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.23 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 41.04 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -106.71 -58.32 1.95 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.44 15.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.318 1.447 . . . . 70.01 114.122 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 41.74 -139.47 1.94 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.293 1.902 . . . . 31.41 113.708 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 24.66 57.11 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 1 C-N-CA 132.229 4.212 . . . . 64.52 115.948 178.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.92 157.11 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.1 2.16 . . . . 60.33 105.316 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -157.66 170.89 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 74.04 108.248 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.403 HG11 ' HB1' ' A' ' 68' ' ' ALA . 2.3 t -79.1 -37.23 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.775 -1.195 . . . . 52.42 107.775 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.72 21.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.847 0.859 . . . . 64.22 108.808 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.361 0 C-N-CA 129.567 3.147 . . . . 74.43 104.427 179.723 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.817 0 N-CA-C 110.194 -1.163 . . . . 55.35 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -62.46 115.03 3.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.011 0.925 . . . . 75.24 109.784 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.34 -33.54 0.19 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 124.154 0.883 . . . . 64.34 111.971 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.16 71.78 4.65 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 107.049 -1.463 . . . . 64.23 107.049 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 p -56.52 -47.48 79.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.59 1.556 . . . . 74.34 114.232 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -74.33 140.17 44.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.932 -1.136 . . . . 61.55 107.932 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.58 156.01 36.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.598 0.759 . . . . 62.43 110.125 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.54 147.49 60.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 72.05 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 65.32 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 72.4 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 44.44 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' ALA . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 54.43 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 63.52 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.11 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 73.51 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 72.23 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.33 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 35.13 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 65.23 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 63.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 97' ' ' ILE . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.12 108.306 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 63.32 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 73.31 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 73.52 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 40.45 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 61.02 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 71.14 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 62.42 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 72.25 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 65.43 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 71.42 109.894 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 24.04 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 63.12 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 72.21 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 63.53 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 55.31 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 54.2 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.597 HD21 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 52.43 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 44.44 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 70.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 72.54 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 97' ' ' ILE . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.23 109.545 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 62.53 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 70.44 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 73.11 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 63.33 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 70.21 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 97' ' ' ILE . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 64.31 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.505 HD13 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 73.33 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 74.41 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 71.44 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 74.4 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 74.42 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 55.41 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 73.54 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 62.01 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 62.35 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.59 HG21 ' HB2' ' A' ' 98' ' ' ALA . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 72.23 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 72.45 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 71.23 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 71.43 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 52.23 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.0 -21.12 47.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.65 -3.71 0.85 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.39 3.476 . . . . 63.5 115.533 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -144.09 -52.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-N 120.698 1.59 . . . . 62.14 114.125 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 tpt -70.18 105.89 3.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.064 1.346 . . . . 74.32 112.84 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -83.65 -47.91 10.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.06 0.544 . . . . 65.01 110.51 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -52.71 100.03 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.169 1.788 . . . . 71.31 114.778 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 54.9 t -140.07 168.47 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 126.165 1.786 . . . . 53.51 108.728 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -130.33 175.4 8.98 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.592 1.957 . . . . 54.44 110.677 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.404 1.882 . . . . 73.31 108.717 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.153 -0.779 . . . . 63.35 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -70.49 153.29 43.1 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.507 0.723 . . . . 54.23 109.847 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.5 158.05 17.15 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 125.508 1.528 . . . . 74.54 113.133 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -44.8 125.39 4.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.211 2.604 . . . . 71.14 112.183 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -61.33 -61.5 2.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.463 1.505 . . . . 63.21 112.039 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -58.7 92.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.978 1.311 . . . . 72.3 111.708 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 p -145.67 157.97 43.9 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.519 1.128 . . . . 64.2 111.779 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 162.44 74.12 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.913 1.285 . . . . 75.55 109.765 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 73.51 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 70.02 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 63.4 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 74.53 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 65.3 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 72.11 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 72.21 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 32.01 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 63.12 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 71.43 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HE1' HD11 ' A' ' 97' ' ' ILE . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 63.32 108.772 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 50.42 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 72.4 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 62.45 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.22 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 73.5 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.33 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 52.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 73.33 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 32.31 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 70.33 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 73.53 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 41.15 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 73.52 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 53.42 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 72.04 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 72.43 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 65.11 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 73.2 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 72.52 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 61.3 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 74.14 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 54.22 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 55.21 108.546 178.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 63.52 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 73.34 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.13 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 44.22 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 61.31 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 60.31 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 61.44 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 63.41 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 97' ' ' ILE . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 64.23 112.458 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 61.01 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 54.41 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 73.03 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 61.1 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 40.05 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 62.13 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 73.44 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 43.11 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 98' ' ' ALA . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 72.42 112.929 -178.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 62.25 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 71.05 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 71.35 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 62.54 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.14 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.3 -50.42 5.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.8 88.8 1.63 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.116 0.871 . . . . 73.24 110.258 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.85 68.1 3.29 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 108.683 -1.767 . . . . 52.51 108.683 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.4 mmt 53.02 46.24 27.17 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.419 1.888 . . . . 73.31 110.854 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.6 -53.35 19.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.078 1.751 . . . . 72.33 112.132 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.43 146.25 48.79 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.167 1.387 . . . . 73.33 109.925 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -141.42 162.49 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 124.592 1.157 . . . . 73.15 108.676 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -162.11 -173.91 3.86 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.373 -0.973 . . . . 75.05 108.373 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.539 2.336 . . . . 71.43 106.969 179.282 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.931 0 N-CA-C 111.0 -0.84 . . . . 34.41 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -140.59 175.33 9.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.49 1.116 . . . . 71.15 110.034 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -174.05 16.13 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.648 1.118 . . . . 64.32 110.803 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -151.7 101.76 2.8 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.358 1.063 . . . . 65.43 108.607 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -57.36 -36.03 70.69 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.263 1.025 . . . . 64.5 112.366 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 42.99 12.01 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.324 3.05 . . . . 74.42 116.804 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 t -74.04 156.5 37.43 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.268 1.427 . . . . 72.31 110.369 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.1 146.31 81.96 Favored Pre-proline 0 CA--C 1.537 0.449 0 C-N-CA 125.321 1.449 . . . . 70.35 108.384 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 54.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 62.22 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 61.11 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 62.44 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 71.33 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 60.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 64.22 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 73.11 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 63.44 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.02 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 64.23 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 42.11 112.549 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 70.22 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 72.51 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 73.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 64.33 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.32 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 70.2 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 55.52 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 73.1 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 72.12 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.23 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 44.23 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 62.54 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 64.43 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 62.54 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 62.23 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 73.32 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 73.25 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 63.42 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 45.11 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 43.21 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 50.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 51.55 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 52.44 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.03 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 63.5 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 41.21 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 60.12 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 73.4 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 64.54 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 64.13 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 71.32 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 63.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.14 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.03 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 52.44 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 63.33 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 40.14 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 70.33 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 52.23 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -97.2 -34.77 10.99 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 72.4 111.192 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -152.68 120.02 5.93 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.781 1.232 . . . . 60.1 110.381 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -93.0 24.97 22.19 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.675 -1.07 . . . . 43.35 111.495 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.9 ttm -63.16 148.72 47.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.472 1.636 . . . . 72.42 109.983 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -137.24 78.64 1.7 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.11 -1.441 . . . . 72.32 107.11 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 157.83 7.32 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.389 1.875 . . . . 63.13 107.949 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.47 140.0 9.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 O-C-N 120.686 -1.259 . . . . 70.31 110.982 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.0 p -77.6 165.38 24.36 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.108 1.363 . . . . 73.24 110.936 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.932 1.693 . . . . 73.21 108.027 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.513 0 N-CA-C 111.349 -0.7 . . . . 61.54 111.349 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -77.9 54.98 1.35 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.136 1.374 . . . . 42.14 109.564 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.02 170.0 26.15 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 126.394 1.949 . . . . 61.04 108.774 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -129.8 -63.0 0.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.773 -1.195 . . . . 72.1 107.773 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -108.98 -23.18 11.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.556 1.142 . . . . 63.21 111.023 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 63.27 5.33 1.95 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.431 1.892 . . . . 70.14 113.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -59.71 153.09 21.09 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 126.508 1.923 . . . . 70.0 112.608 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.39 157.93 34.01 Favored Pre-proline 0 C--O 1.238 0.469 0 C-N-CA 125.786 1.634 . . . . 64.14 112.089 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 61.15 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 51.45 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 50.3 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 55.35 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.23 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 38' ' ' LEU . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 51.42 108.959 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 64.22 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 44.03 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 51.34 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 51.22 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 27' ' ' LEU . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 63.05 111.068 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 63.43 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 63.24 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 65.13 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 63.21 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 72.33 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 73.43 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 52.24 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 62.44 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 43.32 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 50.13 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 65.53 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 63.12 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 44.15 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 63.04 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 65.23 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 64.03 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 45.4 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 73.04 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 63.4 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 41.34 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 71.35 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 54.33 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 71.02 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 73.13 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 62.41 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 73.13 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 53.44 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 54.43 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 61.35 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 74.02 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 64.51 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 54.02 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 52.5 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 73.21 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 63.44 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 63.22 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.1 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 64.42 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.517 HG21 ' HB2' ' A' ' 98' ' ' ALA . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 72.44 111.442 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 60.02 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 71.42 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 71.35 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 65.44 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -68.06 -21.44 64.99 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 54.42 113.483 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 59.77 7.18 1.02 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.549 2.74 . . . . 73.14 114.571 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.04 -90.35 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.879 -0.888 . . . . 73.23 110.879 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -127.27 148.55 50.22 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 118.029 0.915 . . . . 74.34 111.048 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -154.38 169.52 23.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.319 1.848 . . . . 65.31 108.306 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.53 163.14 27.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.035 0.534 . . . . 61.23 110.687 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.6 144.39 11.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 121.271 -0.893 . . . . 61.04 109.86 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -148.89 124.9 10.66 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.258 1.423 . . . . 74.43 111.723 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 N-CA-C 107.269 -1.382 . . . . 73.4 107.269 178.025 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 107.766 -2.133 . . . . 61.02 107.766 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -156.34 156.78 34.54 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.995 2.118 . . . . 71.54 105.86 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.9 178.59 39.46 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.507 -1.037 . . . . 71.44 110.507 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -142.9 -47.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.902 1.281 . . . . 60.11 108.251 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -61.49 -24.81 66.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.24 1.016 . . . . 72.31 111.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -112.43 97.03 6.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.496 2.318 . . . . 74.33 105.458 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -59.94 152.89 22.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.317 1.047 . . . . 75.33 111.451 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -126.46 156.15 73.33 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 125.113 1.365 . . . . 73.41 109.797 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 53.45 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 65.05 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 64.42 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 63.44 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 71.51 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 71.12 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 71.22 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.23 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 73.42 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 61.22 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 61.54 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 62.54 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 55.13 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HE1' HD11 ' A' ' 97' ' ' ILE . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 70.05 108.932 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 60.42 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 72.03 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 64.51 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.13 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 64.0 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 61.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 72.34 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 52.34 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 73.21 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 74.21 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 73.31 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 55.44 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 71.13 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 40.31 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 71.13 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 61.32 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 71.24 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 60.53 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 34.03 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 71.11 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 52.04 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 64.31 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 65.01 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 53.4 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 51.4 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 54.25 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 72.0 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 70.15 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 33.4 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 53.51 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 62.21 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 55.23 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 63.41 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' ' 97' ' ' ILE . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 63.0 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 64.23 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 62.42 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 73.55 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 73.02 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 40.33 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.14 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 32.4 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 63.33 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 51.23 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 62.5 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 51.3 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 54.32 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 54.55 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.2 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 61.45 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 43.23 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 71.22 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 62.25 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.04 -23.6 66.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 71.3 112.883 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 45.43 70.53 0.35 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.644 3.178 . . . . 44.03 112.528 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.08 -10.45 0.17 Allowed Glycine 0 CA--C 1.532 1.113 0 CA-C-O 117.395 -1.78 . . . . 52.43 115.389 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 ttm 35.32 51.53 0.61 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.87 2.468 . . . . 71.23 113.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -134.87 162.9 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.276 1.43 . . . . 74.4 108.083 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -161.25 177.04 10.58 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.06 1.344 . . . . 72.03 108.219 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.25 133.53 22.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.134 -1.432 . . . . 70.12 107.134 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 t -71.91 173.74 7.91 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.582 1.182 . . . . 50.13 108.927 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 N-CA-C 103.801 -2.666 . . . . 63.22 103.801 176.743 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 109.378 -1.489 . . . . 65.14 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 m -139.43 150.93 45.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.297 1.049 . . . . 74.35 109.874 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.36 116.49 2.79 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 108.275 -1.93 . . . . 34.32 108.275 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -146.2 147.39 31.42 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.304 1.041 . . . . 54.41 109.252 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -110.26 -1.95 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 126.973 2.109 . . . . 74.11 112.673 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -126.66 145.09 50.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.852 1.206 . . . . 71.24 109.445 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -66.18 146.44 54.63 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.646 1.978 . . . . 75.44 110.695 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.12 163.55 56.97 Favored Pre-proline 0 N--CA 1.449 -0.499 0 C-N-CA 124.034 0.934 . . . . 72.24 109.729 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 73.03 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 71.42 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 62.33 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 62.21 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 71.22 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 61.51 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 31.01 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 71.12 111.601 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 53.24 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 55.31 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 63.12 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 61.31 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 62.42 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 64.45 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 64.32 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 53.22 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 42.5 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.0 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 70.14 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 71.43 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 74.25 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 63.31 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 34.51 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 72.54 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 62.24 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 73.32 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 72.52 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 72.22 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.11 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 71.41 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 64.4 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 70.4 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 73.2 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 44.43 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 71.5 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 51.3 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 64.42 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD21 ' HB1' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 53.51 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 42.35 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 53.31 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 44.32 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 55.3 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 41.15 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 63.13 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 63.34 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 71.51 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 70.41 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 63.25 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 55.24 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 71.34 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 72.33 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.88 -64.7 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -153.99 109.23 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.61 1.164 . . . . 54.04 109.589 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.36 -59.32 10.87 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.297 -0.721 . . . . 63.5 111.297 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.7 ttm -86.57 62.24 7.29 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.624 1.212 . . . . 71.01 109.695 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -60.26 -23.98 64.55 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.095 2.158 . . . . 72.44 114.861 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -148.21 174.92 11.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.981 1.312 . . . . 72.44 107.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.86 153.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 119.824 -1.797 . . . . 31.54 108.718 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.8 p -111.61 177.71 4.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 52.31 109.587 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.009 -1.478 . . . . 74.02 107.009 178.764 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 110.741 -0.944 . . . . 72.13 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 50.88 18.91 0.56 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.356 1.613 . . . . 74.4 115.356 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.54 84.18 0.33 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.21 -1.156 . . . . 72.23 110.21 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -83.77 145.62 28.61 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.16 -0.682 . . . . 61.05 109.16 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 p -71.7 -2.34 17.05 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.983 0.913 . . . . 64.42 112.821 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -141.01 174.33 10.62 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.24 1.816 . . . . 63.2 109.642 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -134.59 169.23 17.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 127.043 2.137 . . . . 55.52 106.358 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.57 137.93 31.91 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 51.32 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 64.31 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 55.34 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 61.54 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 71.43 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 63.11 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 73.43 112.919 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 60.43 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 53.31 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 54.34 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CD1' HD11 ' A' ' 27' ' ' LEU . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.32 107.725 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 61.02 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.31 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 53.15 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 61.42 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 61.24 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 64.51 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 61.04 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.4 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 61.42 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 63.11 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 63.32 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 60.45 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 54.03 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 42.13 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.603 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 62.04 109.126 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 72.13 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 55' ' ' LEU . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 72.15 111.189 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 63.24 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 73.21 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 61.33 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 61.35 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 64.41 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 43.52 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 62.44 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.21 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 35.21 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 61.22 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 60.54 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 34.11 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 61.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 74.23 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 63.24 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 64.02 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 54.32 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.14 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 73.44 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 73.52 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 52.5 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 50.22 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 52.01 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 63.13 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 71.13 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 72.44 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 42.24 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.33 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 64.24 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.86 -30.7 61.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 72.33 111.8 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.71 93.69 2.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.889 1.676 . . . . 70.14 111.564 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.67 6.11 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.522 -1.031 . . . . 63.23 110.522 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.11 87.27 2.7 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 124.144 0.978 . . . . 73.44 110.03 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.412 ' CG ' ' H ' ' A' ' 134' ' ' ASP . 63.5 t30 -127.02 -167.22 1.7 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.163 1.385 . . . . 73.44 107.887 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 133' ' ' ASN . 17.8 t70 -147.34 125.43 12.12 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.86 1.664 . . . . 55.21 107.296 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.01 158.51 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.887 0.767 . . . . 74.12 110.208 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 t -156.09 167.44 30.42 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.573 1.949 . . . . 74.23 106.811 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 C-N-CA 125.086 1.354 . . . . 53.21 107.398 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 110.118 -1.193 . . . . 71.14 110.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 173.89 15.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.886 1.274 . . . . 53.22 109.762 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.67 -176.8 38.63 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.363 1.935 . . . . 62.25 109.712 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -64.07 117.45 7.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.809 0.844 . . . . 62.21 109.241 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -75.44 -20.67 58.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 61.34 112.762 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.57 -54.28 30.17 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.475 0.71 . . . . 71.23 109.647 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -63.44 158.38 20.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.115 1.766 . . . . 71.2 113.214 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.06 154.09 94.27 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 125.114 1.366 . . . . 71.44 107.547 177.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 73.52 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 51.05 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 35.41 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 44.02 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 52.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 43.32 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 64.32 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 71.3 107.604 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 61.11 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 70.52 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 52.13 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 52.31 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 53.42 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 72.14 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 71.55 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 44.15 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 72.53 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 52.22 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 70.24 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 64.02 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 72.54 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 62.03 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 62.1 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 61.01 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 63.11 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.13 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 32.12 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 44.43 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 72.44 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 54.45 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 42.23 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 72.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 69' ' ' LEU . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 70.41 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 53.33 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 66' ' ' LEU . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 71.34 107.077 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 62.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 64.12 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 70.31 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 60.13 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 70.02 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 61.24 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 64.42 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 61.32 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 64.41 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 128' ' ' ALA . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 72.33 110.035 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 61.15 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 44.23 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 44.04 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 73.44 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 54.11 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 64.34 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 72.33 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 34.01 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 64.42 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 98' ' ' ALA . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 60.51 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 78' ' ' ALA . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 62.21 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -84.37 -62.45 1.55 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 71.41 110.53 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.4 13.94 1.46 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.227 1.411 . . . . 32.33 113.359 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.67 -5.92 18.55 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.512 2.006 . . . . 53.4 112.218 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.9 tpp -53.39 136.79 36.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.254 1.822 . . . . 73.44 110.575 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -65.02 154.21 38.43 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.639 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.92 173.99 10.5 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.439 -1.319 . . . . 74.1 107.439 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.25 -4.37 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 124.849 1.26 . . . . 65.32 110.469 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.1 m -70.88 104.05 2.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.551 1.541 . . . . 41.22 110.83 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 105.336 -2.098 . . . . 61.21 105.336 177.628 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 109.944 -1.262 . . . . 32.33 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -77.31 167.56 21.5 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 121.911 -0.758 . . . . 72.22 109.681 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.4 -171.75 31.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.198 -1.961 . . . . 52.43 108.198 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.2 118.58 21.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.135 -1.802 . . . . 71.24 106.135 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -60.59 -32.65 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.403 0.547 . . . . 73.41 110.535 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -115.27 118.09 32.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.537 1.535 . . . . 72.14 108.579 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.0 m -67.63 165.67 16.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.395 -1.706 . . . . 75.33 106.395 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 73.3 p -134.35 160.51 68.22 Favored Pre-proline 0 C--O 1.237 0.4 0 O-C-N 120.496 -1.377 . . . . 74.13 111.78 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 73.53 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 64.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.32 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.34 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 71.52 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 71.13 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 53.13 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 71.42 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 70.53 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 71.31 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 64.22 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 64.24 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 61.13 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 97' ' ' ILE . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 61.55 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 65.53 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 64.53 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 62.15 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.0 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 32.14 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 71.43 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 73.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 65.4 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 41.44 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 71.22 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 64.52 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 45.11 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 71.54 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 21.33 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 71.12 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 65.41 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 70.11 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 53.44 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 72.01 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.14 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 64.44 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 97' ' ' ILE . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 71.32 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 55.41 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.11 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 97' ' ' ILE 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 94' ' ' THR . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 72.24 110.517 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 63.51 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 50.43 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 71.45 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 64.32 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 63.32 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 71.23 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 70.31 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 44.23 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 62.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 53.15 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 98' ' ' ALA . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 54.21 111.111 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 61.13 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 72.11 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 74.31 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -106.84 -28.0 10.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 64.23 112.096 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.92 -0.39 1.35 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.049 2.94 . . . . 74.44 114.744 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -121.28 -173.32 14.61 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.607 1.099 . . . . 71.22 112.925 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 82.1 mmm -69.39 106.21 2.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 106.286 -1.746 . . . . 55.33 106.286 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -139.92 134.27 31.35 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.955 0.883 . . . . 72.4 110.012 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.92 173.41 6.5 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 129.294 3.038 . . . . 70.23 110.465 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.4 m -129.43 41.16 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.456 1.902 . . . . 74.52 107.17 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -56.26 -26.91 53.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.51 1.124 . . . . 72.05 110.653 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.21 1.404 . . . . 73.34 108.793 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.895 0 N-CA-C 110.509 -1.036 . . . . 54.43 110.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -75.42 166.81 23.02 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 117.901 0.85 . . . . 74.04 110.334 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.25 160.18 27.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.659 -1.376 . . . . 72.2 109.659 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -135.95 -45.58 0.65 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.618 1.167 . . . . 73.05 109.573 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -61.52 -20.66 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.262 0.625 . . . . 65.25 111.507 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 24.0 81.91 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 131.62 3.968 . . . . 74.51 115.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -145.59 169.25 18.78 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.554 1.542 . . . . 63.12 107.938 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -158.62 147.93 14.75 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 125.228 1.411 . . . . 72.43 107.764 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 64.21 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.23 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 61.21 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 73.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 64.11 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 65.34 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 73.32 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 71.34 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 61.24 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 63.32 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 71.35 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 72.45 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HE1' HD11 ' A' ' 97' ' ' ILE . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 65.35 105.303 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.24 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 61.51 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.12 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 72.14 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 70.31 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 63.1 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 55.14 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 72.42 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 51.22 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.03 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 71.1 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 72.23 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 54.44 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 55.42 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 51.35 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 52.35 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 64.34 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 71.21 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 HD13 ' A' ' 97' ' ' ILE . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.31 109.786 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 72.4 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 62.01 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 71.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 53.23 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.15 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 14.03 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 64.03 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 64.44 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 72.42 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 97' ' ' ILE . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 73.23 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 15.24 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 42.13 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 61.32 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 71.04 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.21 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 71.42 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 73.11 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 52.15 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 62.01 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 63.3 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 71.22 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 73.55 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 63.21 109.075 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 63.52 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 71.01 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 64.24 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 63.23 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 65.01 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 43.13 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -79.4 -64.59 1.15 Allowed 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -162.26 132.94 4.9 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.993 2.117 . . . . 73.24 106.3 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.09 53.76 0.42 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 109.3 -1.52 . . . . 41.52 109.3 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 67.3 2.47 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.117 1.367 . . . . 72.35 111.4 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 58.45 14.43 2.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.975 1.71 . . . . 71.53 113.524 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -80.61 164.73 22.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.802 1.241 . . . . 73.2 107.875 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.85 -18.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.674 1.19 . . . . 73.31 113.098 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.03 -72.29 0.67 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.439 -2.06 . . . . 61.13 105.439 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.418 0 C-N-CA 128.925 2.89 . . . . 75.15 106.32 179.081 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 54.22 106.847 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 71.11 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 63.32 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 53.43 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 108' ' ' THR . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 44.03 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 33' ' ' PHE . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 62.53 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 65.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 20.44 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 27' ' ' LEU . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 34.1 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 71.21 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 52.42 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 54.01 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 53.22 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 73.24 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 72.11 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 60.12 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 60.43 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 34.34 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 53.12 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 24.1 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 42.21 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 72.23 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 62.54 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 72.35 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.13 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 52.25 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 51.33 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 71.12 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 72.11 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 52.33 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 61.31 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 42.03 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 60.12 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 60.52 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.23 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 97' ' ' ILE . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 44.22 109.431 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 94' ' ' THR . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 65.54 108.781 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 34.13 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 52.01 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 74.33 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.11 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.21 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 62.34 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 43.05 113.419 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 42.41 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 62.22 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 41.24 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 61.54 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 74.51 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 98' ' ' ALA 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 42.45 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 62.24 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 72.44 113.111 -178.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 44.13 106.972 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 73.33 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 62.23 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 50.42 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 52.1 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 63.3 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 53.02 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 60.24 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 54.14 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 72.41 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 33' ' ' PHE . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 54.11 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 61.54 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 70.21 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 65.32 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 27' ' ' LEU . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 72.12 108.052 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 71.44 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 72.53 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 61.33 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 62.23 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 71.03 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.53 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 70.53 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 72.14 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 73.13 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 25.53 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.32 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 72.24 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.31 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 55.24 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 35.0 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.25 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 72.14 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 63.13 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 71.33 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 64.4 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 43.35 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 55.23 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 64.51 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 73.45 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 64.21 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 51.1 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 61.3 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 35.41 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 45.31 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 62.44 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 72.44 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 72.42 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.22 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 54.31 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.403 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 71.32 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 61.12 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 60.43 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 63.41 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 62.53 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 55.2 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 64.43 112.243 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 64.14 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 74.22 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 42.04 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 63.42 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 74.34 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 54.22 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 72.5 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 73.24 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 62.11 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 53.2 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 71.44 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 64.41 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 63.01 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 63.42 109.164 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 55.33 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 62.32 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 74.3 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 52.12 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 62.45 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 73.02 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 72.44 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 44.31 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 64.43 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 54.55 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 72.53 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 72.23 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 63.32 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 27' ' ' LEU . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.24 106.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 72.0 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 71.13 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 64.41 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 71.13 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 51.22 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 73.54 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 63.34 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 62.35 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 61.53 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.13 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 71' ' ' MET . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 70.23 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 68' ' ' ALA . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 71.51 110.431 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 63.02 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.2 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 55.21 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 41.32 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 54.03 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 55.44 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 71.44 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 62.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 43.53 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.12 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 64.14 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 60.33 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 53.14 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 94' ' ' THR . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 33.31 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 71.44 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 52.04 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 72.44 110.684 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 72.15 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.01 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 72.25 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 54.2 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 63.4 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 74.45 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 63.35 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 73.24 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 60.45 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.12 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 53.12 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.0 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 71.3 110.851 179.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 70.43 105.856 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 8' ' ' THR . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 54.23 117.557 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.11 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 61.44 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 74.34 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 61.43 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 72.23 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.0 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 72.25 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 71.34 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 65.34 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 53.31 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 65.53 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 64.31 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 64.04 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.23 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 27' ' ' LEU . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 62.43 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 64.43 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.24 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 55.24 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 63.03 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 61.31 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 61.42 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 44.14 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 62.21 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 74.31 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 43.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 52.53 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 71.34 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 64.32 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 71.42 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.33 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 61.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 45.22 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 61.44 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 72.31 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 34.14 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.32 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.14 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 71.2 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 71.41 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 61.51 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 63.25 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.3 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 43.21 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 55.42 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 63.41 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 64.35 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 70.53 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.635 HG23 HG12 ' A' ' 111' ' ' VAL . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 109' ' ' THR . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 70.33 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 73.41 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 42.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 73.32 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 98' ' ' ALA . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 63.02 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 64.02 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 61.13 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 60.44 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 73.23 111.728 179.07 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.495 0 N-CA-C 103.02 -2.956 . . . . 70.5 103.02 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' A' ' 8' ' ' THR . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 74.05 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 61.4 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 60.2 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 60.22 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 72.01 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 63.31 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 65.53 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 70.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 32.45 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 74.33 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 62.31 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 72.45 106.284 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 61.54 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 60.12 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 64.44 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 54.32 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 61.53 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 61.34 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 65.11 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 61.13 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 63.11 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 70.01 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 60.55 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 54.4 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.0 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 72.43 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 72.22 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 72.22 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 73.32 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 62.12 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 64.45 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 55.51 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 65.32 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 54.32 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 55.1 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 44.52 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 73.24 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 61.11 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 71.35 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 71.23 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 43.53 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 70.32 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 63.23 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 53.42 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 52.43 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 40.31 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 53.04 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 97' ' ' ILE . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 43.23 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 50.33 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CE1' ' A' ' 33' ' ' PHE . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 72.43 110.151 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 61.44 110.166 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 43.44 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 74.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 61.43 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 55.23 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 106' ' ' LEU . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 42.33 109.742 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.03 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 62.12 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 71.53 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 63.53 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 72.32 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 98' ' ' ALA . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 53.34 110.632 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 55.31 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 55.24 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 64.34 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 62.31 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.14 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 62.21 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 p . . . . . 0 C--O 1.24 0.564 0 N-CA-C 109.446 -0.575 . . . . 62.12 109.446 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 65.1 110.313 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 55.45 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.1 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 73.35 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 50.52 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 72.41 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 70.1 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 34.52 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 55.32 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 64.24 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 51.41 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 53.31 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 73.54 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 61.35 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 61.23 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 71.33 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 63.45 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 64.12 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.12 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 61.41 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 52.2 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 64.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 63.2 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 72.32 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' ' HE3' ' A' ' 65' ' ' LYS . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 73.04 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 62' ' ' SER . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.15 111.461 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 62.45 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 54.35 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 35.34 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 72.13 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 40.03 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 73.13 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 61.43 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 65.54 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 64.12 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.22 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 64.14 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 72.54 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 61.32 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 63.34 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 53.31 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.0 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 94' ' ' THR . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 65.02 110.908 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 54.4 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 64.35 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 65.54 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 14.05 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.45 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.23 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.523 HG21 ' HB2' ' A' ' 98' ' ' ALA . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 52.13 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 74.33 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 52.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 62.41 113.752 -178.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.236 0.343 0 N-CA-C 108.385 -0.969 . . . . 64.54 108.385 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 52.0 110.014 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 51.02 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 45.44 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 65.31 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 62.33 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 50.24 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 54.53 110.494 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 53.13 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 64.21 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 72.0 112.299 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.14 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 64.44 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 53.33 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.14 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 42.23 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 45.25 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 71.04 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 73.1 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 55.44 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 63.14 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 60.14 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.1 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 63.14 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 73.3 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 71.13 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.34 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 73.2 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 65.02 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 62.44 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 53.43 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 61.11 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 65.41 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 62.52 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 71.35 108.575 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 64.45 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 63.01 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 50.24 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' ' HB1' ' A' ' 128' ' ' ALA . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 73.34 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 52.0 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 71.21 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 50.2 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 55.31 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 53.34 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' PHE . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 64.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.11 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.03 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 70.34 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 44.23 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 62.23 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.43 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 43.53 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 65.52 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 70.53 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 70.4 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 70.34 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 62.12 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 72.55 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 55.43 112.884 -179.499 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.236 0.388 0 CA-C-O 119.608 -0.234 . . . . 74.41 111.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 62.21 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 63.21 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 72.51 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 72.22 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 72.01 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 27' ' ' LEU . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 73.31 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.13 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 61.31 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 23' ' ' PHE . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 54.52 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 62.32 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 71.21 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CD1' HD21 ' A' ' 27' ' ' LEU . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 64.0 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.25 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 71.44 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 72.4 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 50.2 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 71.41 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 64.32 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 72.44 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 74.54 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 73.33 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 71.02 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 64.42 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 60.34 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 31.21 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 64.41 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 63.35 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 54.14 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 63.45 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 61.21 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 62.34 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 53.22 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 72.31 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 33.44 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 64.11 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 64.12 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 74.43 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 65.43 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 61.51 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 60.33 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 55.44 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 31.31 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.3 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.0 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 72.41 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.13 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 61.24 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 52.54 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 72.22 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 72.3 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.22 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 62.24 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 65.44 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 63.21 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 74.33 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 54.03 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.31 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 52.04 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 73.41 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 63.25 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 31.5 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 72.41 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 72.41 111.233 -179.079 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 72.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 73.3 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 64.23 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 64.23 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 42.41 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 63.11 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 53.43 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.23 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 72.22 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 41.42 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 61.44 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 64.53 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 63.02 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 53.33 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 72.05 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 70.33 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 72.34 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 71.54 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 65' ' ' LYS . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 65.34 110.165 178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.12 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.12 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 63.22 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HD2' HD21 ' A' ' 55' ' ' LEU . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 71.3 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 60.13 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.02 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 53.41 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 74.51 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 65.23 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 70.13 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 53.21 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 54.21 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 43.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 62.02 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 64.41 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.446 ' HA ' HD12 ' A' ' 97' ' ' ILE . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 71.52 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 94' ' ' THR . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 55.44 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 70.33 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 53.51 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 72.22 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 70.21 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 51.43 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 61.12 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 63.51 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 62.04 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 63.45 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 53.24 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 72.34 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 71.15 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 62.14 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 62.21 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 109.112 -0.699 . . . . 64.41 109.112 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 65.04 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 54.34 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 63.34 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 73.41 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 64.13 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 61.15 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 64.03 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 48' ' ' LEU . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 73.42 110.564 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 45.52 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 54.32 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 33' ' ' PHE . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 72.34 110.966 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 53.35 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 61.52 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 27' ' ' LEU . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.32 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 60.23 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 61.34 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 65.02 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 55.42 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 52.01 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 50.01 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 74.51 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 55.24 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 65.31 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 20' ' ' LEU . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 53.12 109.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 62.23 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 61.41 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 53.14 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 63.14 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 71.52 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 64.05 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 72.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 65.22 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 72.45 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 63.54 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 55.42 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 52.12 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 44.21 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 73.44 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 62.12 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 23.32 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.2 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 41.35 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.14 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.21 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 63.13 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 72.13 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 97' ' ' ILE . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 62.13 109.705 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 44.12 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 61.01 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 71.14 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 51.12 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 64.21 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 73.25 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 72.04 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 41.32 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 74.02 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 72.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 65.35 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 71.14 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 60.21 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.25 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.23 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 41.04 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 72.05 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 65.32 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 72.4 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 44.44 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' ALA . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 54.43 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 63.52 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.11 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 73.51 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 72.23 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.33 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 35.13 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 65.23 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 63.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 97' ' ' ILE . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.12 108.306 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 63.32 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 73.31 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 73.52 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 40.45 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 61.02 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 71.14 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 62.42 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 72.25 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 65.43 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 71.42 109.894 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 24.04 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 63.12 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 72.21 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 63.53 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 55.31 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 54.2 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.597 HD21 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 52.43 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 44.44 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 70.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 72.54 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 97' ' ' ILE . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.23 109.545 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 62.53 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 70.44 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 73.11 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 63.33 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 70.21 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 97' ' ' ILE . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 64.31 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.505 HD13 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 73.33 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 74.41 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 71.44 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 74.4 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 74.42 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 55.41 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 73.54 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 62.01 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 62.35 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.59 HG21 ' HB2' ' A' ' 98' ' ' ALA . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 72.23 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 72.45 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 71.23 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 71.43 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 52.23 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.765 -0.457 . . . . 75.55 109.765 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 73.51 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 70.02 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 63.4 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 74.53 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 65.3 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 72.11 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 72.21 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 32.01 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 63.12 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 71.43 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HE1' HD11 ' A' ' 97' ' ' ILE . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 63.32 108.772 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 50.42 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 72.4 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 62.45 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.22 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 73.5 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.33 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 52.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 73.33 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 32.31 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 70.33 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 73.53 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 41.15 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 73.52 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 53.42 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 72.04 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 72.43 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 65.11 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 73.2 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 72.52 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 61.3 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 74.14 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 54.22 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 55.21 108.546 178.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 63.52 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 73.34 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.13 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 44.22 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 61.31 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 60.31 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 61.44 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 63.41 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 97' ' ' ILE . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 64.23 112.458 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 61.01 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 54.41 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 73.03 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 61.1 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 40.05 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 62.13 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 73.44 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 43.11 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 98' ' ' ALA . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 72.42 112.929 -178.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 62.25 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 71.05 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 71.35 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 62.54 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.14 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 108.384 -0.969 . . . . 70.35 108.384 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 54.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 62.22 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 61.11 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 62.44 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 71.33 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 60.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 64.22 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 73.11 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 63.44 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.02 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 64.23 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 42.11 112.549 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 70.22 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 72.51 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 73.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 64.33 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.32 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 70.2 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 55.52 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 73.1 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 72.12 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.23 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 44.23 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 62.54 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 64.43 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 62.54 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 62.23 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 73.32 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 73.25 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 63.42 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 45.11 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 43.21 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 50.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 51.55 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 52.44 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.03 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 63.5 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 41.21 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 60.12 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 73.4 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 64.54 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 64.13 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 71.32 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 63.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.14 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.03 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 52.44 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 63.33 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 40.14 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 70.33 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 52.23 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 72.4 111.192 179.728 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.238 0.469 0 CA-C-O 119.099 -0.477 . . . . 64.14 112.089 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 61.15 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 51.45 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 50.3 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 55.35 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.23 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 38' ' ' LEU . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 51.42 108.959 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 64.22 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 44.03 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 51.34 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 51.22 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 27' ' ' LEU . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 63.05 111.068 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 63.43 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 63.24 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 65.13 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 63.21 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 72.33 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 73.43 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 52.24 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 62.44 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 43.32 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 50.13 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 65.53 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 63.12 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 44.15 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 63.04 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 65.23 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 64.03 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 45.4 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 73.04 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 63.4 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 41.34 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 71.35 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 54.33 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 71.02 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 73.13 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 62.41 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 73.13 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 53.44 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 54.43 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 61.35 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 74.02 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 64.51 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 54.02 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 52.5 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 73.21 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 63.44 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 63.22 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.1 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 64.42 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.517 HG21 ' HB2' ' A' ' 98' ' ' ALA . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 72.44 111.442 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 60.02 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 71.42 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 71.35 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 65.44 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 54.42 113.483 -179.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.236 0.375 0 N-CA-C 109.797 -0.445 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 53.45 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 65.05 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 64.42 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 63.44 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 71.51 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 71.12 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 71.22 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.23 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 73.42 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 61.22 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 61.54 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 62.54 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 55.13 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HE1' HD11 ' A' ' 97' ' ' ILE . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 70.05 108.932 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 60.42 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 72.03 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 64.51 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.13 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 64.0 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 61.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 72.34 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 52.34 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 73.21 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 74.21 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 73.31 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 55.44 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 71.13 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 40.31 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 71.13 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 61.32 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 71.24 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 60.53 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 34.03 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 71.11 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 52.04 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 64.31 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 65.01 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 53.4 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 51.4 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 54.25 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 72.0 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 70.15 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 33.4 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 53.51 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 62.21 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 55.23 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 63.41 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' ' 97' ' ' ILE . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 63.0 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 64.23 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 62.42 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 73.55 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 73.02 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 40.33 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.14 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 32.4 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 63.33 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 51.23 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 62.5 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 51.3 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 54.32 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 54.55 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.2 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 61.45 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 43.23 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 71.22 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 62.25 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 71.3 112.883 -179.516 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.729 -0.471 . . . . 72.24 109.729 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 73.03 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 71.42 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 62.33 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 62.21 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 71.22 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 61.51 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 31.01 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 71.12 111.601 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 53.24 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 55.31 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 63.12 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 61.31 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 62.42 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 64.45 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 64.32 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 53.22 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 42.5 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.0 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 70.14 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 71.43 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 74.25 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 63.31 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 34.51 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 72.54 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 62.24 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 73.32 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 72.52 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 72.22 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.11 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 71.41 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 64.4 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 70.4 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 73.2 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 44.43 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 71.5 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 51.3 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 64.42 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD21 ' HB1' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 53.51 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 42.35 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 53.31 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 44.32 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 55.3 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 41.15 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 63.13 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 63.34 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 71.51 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 70.41 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 63.25 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 55.24 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 71.34 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 72.33 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 51.32 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 64.31 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 55.34 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 61.54 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 71.43 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 63.11 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 73.43 112.919 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 60.43 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 53.31 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 54.34 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CD1' HD11 ' A' ' 27' ' ' LEU . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.32 107.725 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 61.02 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.31 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 53.15 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 61.42 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 61.24 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 64.51 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 61.04 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.4 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 61.42 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 63.11 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 63.32 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 60.45 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 54.03 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 42.13 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.603 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 62.04 109.126 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 72.13 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 55' ' ' LEU . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 72.15 111.189 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 63.24 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 73.21 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 61.33 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 61.35 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 64.41 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 43.52 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 62.44 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.21 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 35.21 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 61.22 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 60.54 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 34.11 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 61.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 74.23 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 63.24 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 64.02 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 54.32 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.14 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 73.44 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 73.52 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 52.5 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 50.22 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 52.01 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 63.13 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 71.13 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 72.44 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 42.24 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.33 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 64.24 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 72.33 111.8 179.319 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 107.547 -1.279 . . . . 71.44 107.547 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 73.52 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 51.05 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 35.41 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 44.02 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 52.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 43.32 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 64.32 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 71.3 107.604 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 61.11 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 70.52 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 52.13 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 52.31 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 53.42 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 72.14 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 71.55 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 44.15 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 72.53 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 52.22 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 70.24 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 64.02 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 72.54 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 62.03 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 62.1 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 61.01 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 63.11 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.13 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 32.12 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 44.43 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 72.44 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 54.45 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 42.23 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 72.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 69' ' ' LEU . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 70.41 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 53.33 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 66' ' ' LEU . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 71.34 107.077 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 62.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 64.12 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 70.31 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 60.13 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 70.02 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 61.24 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 64.42 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 61.32 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 64.41 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 128' ' ' ALA . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 72.33 110.035 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 61.15 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 44.23 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 44.04 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 73.44 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 54.11 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 64.34 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 72.33 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 34.01 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 64.42 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 98' ' ' ALA . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 60.51 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 78' ' ' ALA . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 62.21 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 71.41 110.53 -179.556 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 73.3 p . . . . . 0 C--O 1.237 0.4 0 CA-C-O 119.431 -0.318 . . . . 74.13 111.78 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 73.53 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 64.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.32 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.34 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 71.52 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 71.13 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 53.13 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 71.42 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 70.53 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 71.31 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 64.22 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 64.24 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 61.13 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 97' ' ' ILE . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 61.55 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 65.53 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 64.53 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 62.15 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.0 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 32.14 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 71.43 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 73.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 65.4 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 41.44 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 71.22 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 64.52 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 45.11 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 71.54 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 21.33 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 71.12 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 65.41 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 70.11 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 53.44 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 72.01 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.14 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 64.44 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 97' ' ' ILE . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 71.32 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 55.41 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.11 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 97' ' ' ILE 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 94' ' ' THR . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 72.24 110.517 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 63.51 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 50.43 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 71.45 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 64.32 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 63.32 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 71.23 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 70.31 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 44.23 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 62.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 53.15 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 98' ' ' ALA . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 54.21 111.111 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 61.13 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 72.11 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 74.31 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 64.23 112.096 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 107.764 -1.198 . . . . 72.43 107.764 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 64.21 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.23 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 61.21 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 73.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 64.11 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 65.34 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 73.32 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 71.34 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 61.24 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 63.32 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 71.35 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 72.45 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HE1' HD11 ' A' ' 97' ' ' ILE . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 65.35 105.303 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.24 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 61.51 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.12 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 72.14 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 70.31 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 63.1 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 55.14 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 72.42 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 51.22 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.03 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 71.1 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 72.23 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 54.44 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 55.42 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 51.35 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 52.35 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.431 HD21 ' CD1' ' A' ' 120' ' ' ILE . 8.4 t30 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 64.34 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 71.21 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 HD13 ' A' ' 97' ' ' ILE . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.31 109.786 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 72.4 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 62.01 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 71.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 53.23 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.15 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 14.03 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 64.03 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 64.44 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 72.42 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 97' ' ' ILE . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 73.23 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 15.24 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 42.13 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 61.32 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 71.04 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.21 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 71.42 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 73.11 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 52.15 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 62.01 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 63.3 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 71.22 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 73.55 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 70' ' ' ASN . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 63.21 109.075 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 63.52 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 71.01 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 64.24 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 63.23 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 65.01 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 43.13 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.967 0 N-CA-C 109.255 -1.538 . . . . 43.03 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -145.45 -175.69 4.82 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.816 1.646 . . . . 60.31 107.466 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.36 -104.85 0.25 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 106.088 -2.805 . . . . 62.13 106.088 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 59.93 2.46 0.4 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.649 2.38 . . . . 64.11 115.62 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 p -83.07 4.23 27.11 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.274 1.43 . . . . 72.32 113.885 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -143.79 114.68 7.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.274 1.429 . . . . 65.34 107.238 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 p -142.92 109.7 5.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.27 -1.752 . . . . 73.51 106.27 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.86 155.29 71.17 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 106.847 -1.538 . . . . 54.22 106.847 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -62.52 -51.22 3.47 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.562 2.174 . . . . 65.45 112.183 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -63.15 -27.73 69.58 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.621 1.168 . . . . 72.23 112.932 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -39.33 50.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.375 0.88 . . . . 71.11 113.375 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -106.24 126.3 30.86 Favored Pre-proline 0 C--O 1.223 -0.301 0 CA-C-N 118.987 0.812 . . . . 65.54 110.412 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -60.91 -31.27 91.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.728 2.285 . . . . 63.32 113.648 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.44 -45.84 44.52 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.207 -1.557 . . . . 61.53 109.207 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -35.45 81.18 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.808 -0.812 . . . . 74.41 108.808 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.79 83.67 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.915 -1.142 . . . . 53.43 107.915 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.8 -42.44 97.61 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -59.74 -45.63 91.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.775 0.716 . . . . 75.45 109.532 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HA ' ' CG2' ' A' ' 108' ' ' THR . 14.4 t80 -58.56 -55.63 32.57 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 123.621 0.768 . . . . 74.41 109.522 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.58 -46.7 86.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 118.525 -0.75 . . . . 71.32 110.296 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.27 -52.38 65.52 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 119.329 0.968 . . . . 44.03 111.039 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.8 p -60.05 -46.64 88.85 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.052 0.541 . . . . 75.12 110.854 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -60.34 -54.1 49.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.417 1.087 . . . . 71.43 111.245 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.13 -50.84 71.56 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.905 0.882 . . . . 72.43 110.304 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -54.38 -48.88 71.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.169 0.988 . . . . 75.32 111.06 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.35 65.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.858 -0.526 . . . . 60.32 112.933 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 33' ' ' PHE . 19.8 tp -65.25 -31.03 71.98 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 124.938 1.295 . . . . 75.44 112.619 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -59.25 -39.92 84.35 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 119.516 1.053 . . . . 71.42 111.783 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 -1.83 33.22 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.613 0.765 . . . . 62.53 112.709 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -91.98 158.45 39.63 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 121.446 -0.784 . . . . 65.21 111.35 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.38 16.38 1.24 Allowed 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.98 2.453 . . . . 71.24 112.88 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.58 -90.64 0.65 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 108.046 -2.022 . . . . 20.44 108.046 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 27' ' ' LEU . 89.0 m-85 -89.12 -166.66 1.65 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 108.805 -0.813 . . . . 65.42 108.805 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -128.13 162.38 27.06 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.37 1.868 . . . . 73.53 107.415 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.42 -32.31 66.75 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.802 0.728 . . . . 34.1 110.347 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -61.37 -56.23 22.64 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.31 1.844 . . . . 64.41 109.072 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.51 -35.96 82.19 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 109.002 -0.74 . . . . 71.21 109.002 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.28 -28.59 66.89 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.74 0.7 . . . . 52.42 111.536 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -70.6 -46.72 62.88 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 108.857 -0.794 . . . . 75.44 108.857 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -61.97 -43.32 99.09 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.75 -1.204 . . . . 54.01 107.75 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.09 -30.17 66.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 116.674 -1.631 . . . . 53.22 111.939 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -61.95 -39.84 93.52 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 120.92 1.691 . . . . 73.24 109.309 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -67.47 -47.5 69.91 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 107.852 -1.166 . . . . 72.43 107.852 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.3 -28.13 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 124.366 1.066 . . . . 72.11 109.452 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.38 -52.99 9.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.507 1.523 . . . . 60.12 110.265 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -59.04 -32.87 70.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.248 0.619 . . . . 60.43 111.584 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -59.79 -20.44 56.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.574 0.75 . . . . 34.34 110.372 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.42 -48.57 11.73 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.815 -1.178 . . . . 53.12 107.825 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.4 -44.19 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.69 1.596 . . . . 65.43 110.13 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -56.46 -47.67 78.67 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.858 0.753 . . . . 73.12 109.856 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 t -68.16 -33.21 74.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.527 0.731 . . . . 65.24 110.874 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.06 -45.5 90.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 106.957 -1.497 . . . . 74.54 106.957 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.15 -41.15 83.14 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.694 -0.67 . . . . 74.53 110.626 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.0 t -52.2 -45.34 65.15 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.217 0.607 . . . . 24.1 110.925 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.74 -46.12 26.59 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.403 0.681 . . . . 42.21 110.465 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -33.57 66.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.556 0.742 . . . . 63.43 111.482 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.74 -18.62 60.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.863 1.265 . . . . 72.23 112.21 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -108.62 -11.95 15.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.509 1.123 . . . . 73.13 110.118 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.72 28.33 69.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 109.697 -1.361 . . . . 61.51 109.697 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -126.73 140.82 52.1 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 126.034 1.734 . . . . 64.54 107.311 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -153.51 92.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.782 -1.562 . . . . 73.21 106.782 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -62.55 145.71 94.7 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 107.459 -1.312 . . . . 74.32 107.459 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.96 -51.61 5.52 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.262 1.974 . . . . 62.54 108.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -58.98 -29.31 67.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.275 0.63 . . . . 74.21 112.014 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -72.4 -51.12 21.82 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.224 -1.547 . . . . 72.35 108.917 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.68 -33.86 76.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.431 0.692 . . . . 72.13 110.023 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -72.06 -42.39 66.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.253 1.421 . . . . 61.24 108.702 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.98 69.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 119.469 1.031 . . . . 64.45 110.188 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -43.64 76.54 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 106.628 -1.619 . . . . 75.24 106.628 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -65.62 -45.01 84.71 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.342 1.057 . . . . 74.21 110.213 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.5 mtm -60.77 -47.31 86.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.789 -1.189 . . . . 73.43 107.789 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -29.53 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.259 0.624 . . . . 52.25 111.907 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.62 -47.66 80.49 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.598 1.09 . . . . 72.11 108.468 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.58 92.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.157 0.983 . . . . 51.33 108.928 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 t -56.72 -45.5 81.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.863 1.665 . . . . 71.12 108.905 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.3 m -64.89 -39.11 93.02 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.793 0.837 . . . . 74.21 110.424 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.67 -43.66 98.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 117.477 -1.249 . . . . 72.53 109.237 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.77 71.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.574 1.079 . . . . 72.11 111.372 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -64.1 -55.1 24.42 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.289 0.95 . . . . 72.21 110.34 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.38 -22.35 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 120.739 -1.225 . . . . 52.33 109.393 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.14 -31.3 61.02 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 120.517 -1.365 . . . . 63.11 108.94 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -29.68 48.74 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.136 0.88 . . . . 61.31 108.885 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -57.02 153.29 11.59 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.86 1.264 . . . . 74.35 109.561 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 23.3 tt0 -75.61 177.22 6.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 50.9 mt-10 61.4 3.41 0.78 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.662 1.985 . . . . 74.53 115.805 178.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.73 69.63 0.61 Allowed Glycine 0 C--N 1.332 0.324 0 N-CA-C 108.156 -1.977 . . . . 42.03 108.156 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.1 -124.07 6.8 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.69 -1.764 . . . . 74.23 108.69 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.39 -89.39 0.33 Allowed Glycine 0 CA--C 1.522 0.511 0 CA-C-N 117.964 0.882 . . . . 74.34 112.694 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -84.25 160.67 20.73 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 114.147 1.166 . . . . 60.12 114.147 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.12 -37.57 75.35 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.213 -0.903 . . . . 60.52 108.617 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.2 p -58.1 -53.54 57.07 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 125.821 1.648 . . . . 73.45 110.624 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.4 m -64.37 -39.11 93.23 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.147 -0.686 . . . . 74.44 109.147 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -60.18 -52.8 63.79 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.22 -0.925 . . . . 72.23 109.935 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 97' ' ' ILE . 27.2 p -61.06 -32.69 72.33 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.556 1.071 . . . . 44.22 109.431 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t -67.99 -41.43 82.32 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.822 -1.174 . . . . 73.22 109.638 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -68.37 -37.13 80.14 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.076 0.853 . . . . 75.22 110.973 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 94' ' ' THR . 17.8 mt -58.47 -45.18 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 N-CA-C 108.781 -0.822 . . . . 65.54 108.781 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.8 -38.06 77.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.735 0.698 . . . . 73.41 111.54 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -35.94 68.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.526 0.331 . . . . 72.53 110.594 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.75 66.93 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.4 -0.813 . . . . 34.13 109.295 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.01 -48.18 80.83 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 124.925 1.29 . . . . 52.01 110.885 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -58.35 -45.81 87.46 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.716 0.689 . . . . 73.24 110.775 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -60.24 -40.57 90.71 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.572 -0.529 . . . . 74.33 109.572 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.66 87.39 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.373 0.669 . . . . 74.23 109.556 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -58.76 -38.88 79.43 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.96 0.904 . . . . 75.11 109.841 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.74 -29.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.672 -0.68 . . . . 74.21 110.439 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -35.59 21.77 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.005 0.922 . . . . 62.34 113.27 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 38.4 p -75.52 -59.27 2.82 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.419 0.896 . . . . 43.05 113.419 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.3 p -120.96 -14.06 8.51 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.045 1.338 . . . . 42.41 114.204 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.57 20.92 70.49 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.426 -1.208 . . . . 73.23 112.973 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 p -142.4 121.87 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 119.753 1.776 . . . . 62.22 109.727 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.02 135.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 125.952 1.701 . . . . 41.24 108.188 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.63 113.61 16.29 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 106.847 -1.538 . . . . 74.21 106.847 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -51.42 -58.97 8.87 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 115.766 1.765 . . . . 75.31 115.766 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.54 -30.18 43.47 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 121.863 1.709 . . . . 64.54 113.376 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -63.77 -34.82 78.75 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 108.586 -0.894 . . . . 73.24 108.586 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.8 mt -76.17 -38.95 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.41 -49.34 77.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.023 0.828 . . . . 61.54 112.5 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.19 -36.29 70.66 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.674 0.67 . . . . 60.42 110.445 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.65 -42.29 83.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 124.422 1.089 . . . . 74.51 108.951 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 98' ' ' ALA 0.256 61.4 p -72.15 -28.61 63.35 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 119.073 0.851 . . . . 74.22 112.495 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -64.58 -35.39 80.85 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 109.16 -0.682 . . . . 71.13 109.16 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.23 -46.43 85.92 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.291 0.95 . . . . 42.45 110.493 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.7 t -62.49 -51.4 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.324 0.511 . . . . 73.21 110.928 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 p -64.84 -31.69 73.04 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.702 0.26 . . . . 64.23 111.702 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.4 ttp -73.34 -43.88 59.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.0 0.92 . . . . 62.24 109.091 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.51 -46.75 84.64 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.361 0.665 . . . . 64.54 110.34 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.96 -55.14 18.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.561 0.578 . . . . 60.21 112.561 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -69.96 -46.05 66.06 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.352 -0.832 . . . . 72.44 113.111 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 44.77 41.34 4.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.373 2.269 . . . . 63.51 112.076 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.3 -136.09 5.79 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 108.102 -1.999 . . . . 63.41 108.102 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.9 mmt -128.82 81.91 2.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 126.573 1.949 . . . . 74.22 107.343 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -71.14 -16.9 62.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 114.322 1.231 . . . . 62.33 114.322 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -117.76 163.05 17.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.132 1.333 . . . . 54.45 110.406 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.09 176.32 4.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.344 1.458 . . . . 64.52 110.236 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -144.14 162.01 37.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.768 2.027 . . . . 63.45 108.453 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 N-CA-C 104.916 -2.253 . . . . 71.41 104.916 179.395 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.868 0 N-CA-C 108.853 -1.699 . . . . 71.41 108.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -63.86 161.31 15.73 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 117.87 0.835 . . . . 64.43 108.929 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 92.96 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 119.021 -1.561 . . . . 64.24 114.417 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -67.96 29.98 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.966 2.507 . . . . 75.1 113.082 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.98 -24.78 66.39 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.325 -1.485 . . . . 73.21 110.116 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.0 m170 39.71 63.44 1.02 Allowed 'General case' 0 C--N 1.342 0.255 0 C-N-CA 126.962 2.105 . . . . 74.23 110.927 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -142.78 147.7 35.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.519 -0.549 . . . . 62.32 109.519 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.03 144.52 92.94 Favored Pre-proline 0 C--O 1.236 0.372 0 N-CA-C 106.972 -1.492 . . . . 44.13 106.972 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -65.07 -11.69 31.1 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.877 1.718 . . . . 73.33 111.36 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -92.14 -11.25 36.14 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.897 1.679 . . . . 62.23 111.747 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.9 m -73.92 -33.59 64.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.524 -0.735 . . . . 73.12 111.914 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -128.57 135.78 28.1 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-N 119.851 1.205 . . . . 71.24 110.114 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.1 -30.65 46.84 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.567 2.178 . . . . 50.42 112.362 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.59 -15.13 75.33 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 119.625 1.102 . . . . 52.1 112.114 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.49 -45.83 7.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.645 -1.983 . . . . 63.3 105.645 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.41 73.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.181 0.992 . . . . 70.4 111.23 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.07 -37.19 84.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.811 0.445 . . . . 75.15 111.242 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -70.59 -40.7 73.11 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.295 0.498 . . . . 73.52 110.024 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.87 -50.88 62.94 Favored 'General case' 0 C--O 1.23 0.072 0 O-C-N 121.114 -0.991 . . . . 53.02 108.914 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 mt -57.18 -44.51 83.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 118.105 -0.95 . . . . 60.24 109.935 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -71.73 -45.03 63.03 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.975 0.807 . . . . 63.24 112.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 p -59.33 -38.59 80.7 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.625 0.648 . . . . 71.42 110.239 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 45.1 t80 -60.34 -53.58 55.89 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.221 1.008 . . . . 73.23 109.631 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.3 -41.54 93.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.461 -0.78 . . . . 54.14 111.958 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -56.39 -33.25 65.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.712 0.805 . . . . 72.41 112.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.86 -49.32 4.58 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 110.023 -1.231 . . . . 52.21 110.023 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 33' ' ' PHE . 10.8 tp -52.66 -34.75 53.06 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 126.518 1.927 . . . . 74.0 113.495 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 p -54.08 -35.51 62.14 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.431 1.092 . . . . 54.11 112.664 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -99.25 -3.57 33.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.645 1.178 . . . . 61.54 112.386 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 82.7 mmm -80.71 151.28 71.0 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 119.286 0.948 . . . . 70.21 110.636 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.65 81.94 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.101 2.534 . . . . 73.33 108.059 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 -91.28 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.567 -2.213 . . . . 65.32 107.567 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 27' ' ' LEU . 67.2 m-85 -76.62 175.36 9.38 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.052 -1.092 . . . . 72.12 108.052 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.4 p -123.29 164.46 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.953 -1.499 . . . . 74.11 106.953 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.02 -35.16 64.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.574 -0.528 . . . . 75.5 109.574 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -66.88 -46.45 74.9 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.639 1.176 . . . . 72.11 109.978 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.84 -33.63 76.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.707 0.685 . . . . 72.02 110.212 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.69 -24.2 63.75 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 118.137 -0.935 . . . . 71.44 111.664 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.9 -49.8 73.38 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.412 -0.958 . . . . 74.43 108.412 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.56 -42.24 96.19 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.025 0.93 . . . . 71.11 109.4 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.99 -31.13 68.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 117.654 -1.165 . . . . 72.53 111.804 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -64.37 -41.58 96.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.779 1.172 . . . . 71.45 107.96 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.0 m -66.16 -47.19 74.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 120.984 -1.072 . . . . 61.33 108.999 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.24 -45.31 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.946 0.794 . . . . 62.23 109.9 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.31 -53.09 60.19 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.355 1.062 . . . . 71.03 110.119 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.81 -34.1 74.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.963 -1.018 . . . . 73.35 112.085 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -62.89 -40.48 97.69 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.797 1.18 . . . . 41.53 109.428 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.57 -52.35 63.77 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 108.718 -0.845 . . . . 70.53 108.718 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -56.07 -40.03 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 118.444 -0.789 . . . . 72.14 110.393 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.49 -42.76 92.86 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.447 1.022 . . . . 73.13 110.45 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -68.16 -38.98 82.67 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.231 0.923 . . . . 25.53 109.756 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.14 -39.61 86.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 118.306 -0.854 . . . . 64.32 108.735 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.7 -40.1 96.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.046 1.294 . . . . 72.24 110.676 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.0 t -64.68 -47.96 76.5 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.75 0.704 . . . . 72.45 109.374 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.33 -38.85 88.6 Favored 'General case' 0 N--CA 1.461 0.103 0 O-C-N 121.678 -0.639 . . . . 74.34 110.323 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.2 71.24 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 123.606 0.762 . . . . 75.31 111.503 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.1 69.68 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.81 -0.615 . . . . 55.24 110.685 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -104.46 -26.97 12.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.704 0.802 . . . . 35.0 111.37 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.68 34.26 62.98 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 118.751 -1.027 . . . . 70.44 110.818 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.85 55.77 1.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.579 1.189 . . . . 73.25 111.418 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.67 101.16 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.417 1.087 . . . . 72.14 110.309 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.08 155.01 80.45 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 108.971 -0.751 . . . . 75.4 108.971 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -42.53 28.82 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.441 2.094 . . . . 63.13 112.439 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -49.61 -57.36 7.31 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 74.31 111.064 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -39.25 80.74 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 121.895 -0.503 . . . . 72.35 112.258 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.08 -46.45 82.51 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.442 0.697 . . . . 71.33 110.018 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -67.45 -44.48 78.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.673 1.189 . . . . 73.45 111.569 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.35 39.46 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.227 1.195 . . . . 64.4 114.227 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.45 -35.83 74.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.86 0.755 . . . . 43.35 110.012 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -62.27 -51.13 68.93 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 124.18 0.992 . . . . 55.23 110.175 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -60.73 -50.38 73.72 Favored 'General case' 0 CA--C 1.527 0.069 0 C-N-CA 123.261 0.625 . . . . 64.51 109.422 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.42 -45.63 76.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.008 0.523 . . . . 73.45 111.275 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.04 -43.17 81.7 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.084 0.953 . . . . 73.1 110.593 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.75 78.93 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.657 -0.652 . . . . 64.21 109.66 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -45.33 92.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 107.882 -1.155 . . . . 51.1 107.882 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -59.39 -44.89 92.7 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.095 0.958 . . . . 70.12 109.603 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.32 -53.23 60.61 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.534 1.134 . . . . 75.4 110.651 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.01 76.5 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.987 0.915 . . . . 65.41 111.277 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.73 -54.06 49.87 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.869 0.758 . . . . 61.3 110.652 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.53 -46.7 91.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 124.003 0.921 . . . . 35.41 108.738 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.11 -20.01 64.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 117.542 -1.218 . . . . 45.31 112.954 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.64 3.65 31.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.664 1.186 . . . . 62.44 112.183 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.3 t -108.58 -11.17 15.15 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.878 0.871 . . . . 72.44 111.563 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -157.29 167.32 30.66 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.506 1.048 . . . . 72.42 110.14 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.87 177.35 4.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.811 1.244 . . . . 72.22 109.079 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.78 -103.51 0.17 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 107.848 -2.101 . . . . 64.21 107.848 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.29 142.99 17.09 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 107.561 -2.216 . . . . 70.52 107.561 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.8 -108.99 0.39 Allowed Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.135 1.826 . . . . 75.31 111.2 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' A' ' 92' ' ' THR . 4.4 m -149.83 176.68 10.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.662 2.385 . . . . 54.31 107.418 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.43 -42.11 81.76 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.326 0.966 . . . . 73.54 109.884 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -26.42 64.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.058 1.343 . . . . 74.24 111.38 178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.403 ' HB ' ' H ' ' A' ' 89' ' ' SER . 90.4 m -86.28 -46.68 10.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.23 -1.396 . . . . 75.52 107.23 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -49.03 -46.26 43.86 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.817 1.647 . . . . 71.32 110.526 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.5 p -56.37 -43.19 78.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.994 0.918 . . . . 61.12 110.848 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.6 t -74.12 -37.11 64.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.244 1.018 . . . . 60.43 110.871 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.9 m -61.08 -33.51 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.227 -0.921 . . . . 74.44 110.468 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.73 -38.1 81.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 117.922 -1.037 . . . . 63.41 109.516 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.19 85.73 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.506 1.503 . . . . 74.34 109.46 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 m -70.14 -36.9 75.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.296 -0.866 . . . . 74.52 109.771 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.07 67.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.538 -0.912 . . . . 62.53 108.538 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.87 -47.35 74.37 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 125.919 1.688 . . . . 55.2 109.618 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -51.35 -51.25 56.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.878 1.271 . . . . 74.21 109.648 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.23 -47.62 78.96 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.655 0.382 . . . . 74.51 110.36 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -57.69 -38.63 75.5 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.988 0.915 . . . . 64.43 112.243 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.04 -47.34 77.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.145 -1.057 . . . . 71.55 108.145 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.17 -30.72 71.25 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.502 -0.749 . . . . 64.14 110.913 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -77.77 -7.55 56.74 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 117.572 -1.204 . . . . 74.22 113.023 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -123.17 -41.74 2.3 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 120.363 1.438 . . . . 65.33 113.576 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.6 p -125.24 -11.76 6.93 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.478 0.918 . . . . 64.23 113.478 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.72 11.89 80.68 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.849 1.204 . . . . 42.04 113.347 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -123.51 115.0 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 119.395 1.598 . . . . 72.23 109.48 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.66 121.23 56.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 105.948 -1.871 . . . . 63.42 105.948 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -123.25 107.12 11.33 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.388 1.075 . . . . 64.14 108.725 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -46.86 -51.78 36.8 Favored Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 117.045 -1.455 . . . . 74.34 112.908 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.33 -36.4 9.34 Favored 'Trans proline' 0 C--N 1.358 1.043 0 CA-C-N 121.801 1.679 . . . . 75.53 112.879 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.34 -35.52 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.543 1.137 . . . . 54.22 111.091 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 57.0 mt -75.56 -45.82 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 107.131 -1.433 . . . . 72.5 107.131 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.28 -45.02 88.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.948 1.092 . . . . 74.1 113.948 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.71 -39.52 81.05 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.7 1.136 . . . . 75.31 110.724 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.3 mm -66.29 -41.0 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.379 -0.971 . . . . 73.24 108.379 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.9 p -71.86 -31.94 66.99 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.387 0.994 . . . . 73.34 111.799 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.47 -37.4 80.91 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 108.551 -0.907 . . . . 62.11 108.551 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.71 -32.84 74.45 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.866 -0.588 . . . . 53.2 110.461 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.68 -51.77 34.02 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.574 -0.898 . . . . 71.44 108.574 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 -34.68 77.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.157 0.435 . . . . 64.41 111.254 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -65.02 -48.52 73.59 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.893 -1.151 . . . . 74.52 107.893 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.59 -44.2 96.9 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-O 119.515 -0.278 . . . . 63.01 110.32 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.16 61.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.682 0.793 . . . . 73.3 112.75 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -89.82 -49.22 6.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.35 -0.833 . . . . 75.23 109.236 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.94 102.44 0.47 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.465 1.106 . . . . 60.5 109.159 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.06 -27.49 64.94 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.439 1.019 . . . . 71.54 112.042 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.3 mtp -132.31 96.18 3.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 105.614 -1.995 . . . . 61.33 105.614 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -120.2 -177.27 3.39 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 125.544 1.538 . . . . 74.4 108.349 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.42 155.05 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.648 -1.242 . . . . 75.53 107.648 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -156.89 154.61 5.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.29 -1.004 . . . . 53.43 108.29 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.5 167.55 21.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.106 -1.072 . . . . 72.34 108.106 178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 107.067 -1.457 . . . . 65.34 107.067 179.317 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.053 -1.619 . . . . 51.53 109.053 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.24 158.52 31.21 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.984 1.392 . . . . 74.12 111.785 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.17 -113.23 3.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 104.744 -3.342 . . . . 33.24 104.744 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.8 m120 55.04 0.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.628 2.371 . . . . 71.34 116.276 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -66.01 -59.15 4.09 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 125.119 1.368 . . . . 62.3 107.922 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.68 133.64 50.63 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.617 1.967 . . . . 74.05 108.261 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 t -145.55 129.76 17.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.248 -1.76 . . . . 72.13 106.248 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.91 147.55 79.11 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 109.164 -0.68 . . . . 63.42 109.164 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -61.94 -46.69 12.58 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.503 2.135 . . . . 55.33 109.769 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -68.42 -11.46 59.72 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.382 1.073 . . . . 62.32 111.926 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 m -90.18 -42.31 11.12 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 117.19 -1.386 . . . . 75.22 113.017 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -106.57 126.62 29.94 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 121.001 1.728 . . . . 75.23 110.06 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.44 -33.5 79.11 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.671 2.247 . . . . 74.3 113.306 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -32.25 69.94 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 119.271 0.941 . . . . 72.42 111.831 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -52.02 22.69 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 106.181 -1.785 . . . . 52.12 106.181 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.06 71.08 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.604 0.761 . . . . 62.45 110.151 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.14 -43.25 73.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.258 1.023 . . . . 73.23 110.953 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -65.91 -53.72 35.74 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 122.935 0.494 . . . . 73.02 109.867 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -56.03 -47.73 77.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.54 1.136 . . . . 72.44 111.658 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.27 -51.52 68.6 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.934 1.293 . . . . 44.31 108.821 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -59.46 -46.61 88.28 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 122.663 0.385 . . . . 64.43 110.955 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -54.25 -47.92 71.74 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.972 0.909 . . . . 54.55 109.809 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 118.843 -0.598 . . . . 75.33 109.984 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.9 -41.37 97.71 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.323 0.965 . . . . 72.53 110.297 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.61 -47.59 84.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 73.31 109.482 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.46 -48.61 29.17 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-O 119.485 -0.619 . . . . 72.23 113.694 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.6 tp -57.57 -34.75 69.52 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 124.825 1.25 . . . . 72.54 110.637 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -55.01 -39.97 69.64 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 119.298 0.954 . . . . 73.34 111.622 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -90.31 13.47 15.31 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.456 0.91 . . . . 63.32 113.456 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.9 mmm -107.06 159.51 29.72 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.279 1.432 . . . . 72.23 110.461 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.86 12.25 1.75 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.9 3.067 . . . . 71.11 116.12 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.09 -95.5 0.43 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.337 -2.305 . . . . 71.4 107.337 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' HD21 ' A' ' 27' ' ' LEU . 3.4 m-85 -81.13 173.68 12.32 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.739 1.616 . . . . 74.24 106.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -128.44 166.29 19.02 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.701 -1.222 . . . . 65.25 107.701 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.92 -39.67 40.82 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.543 1.312 . . . . 72.0 114.543 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -61.5 -52.85 62.78 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.269 0.94 . . . . 65.3 109.932 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.98 -36.31 81.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.222 1.409 . . . . 75.51 110.485 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.59 -24.57 67.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 117.763 -1.113 . . . . 71.13 113.303 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.3 -41.9 66.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 119.841 1.2 . . . . 75.35 110.142 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -40.33 94.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.856 -0.794 . . . . 72.12 108.856 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -56.06 -29.59 60.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.752 2.021 . . . . 70.32 111.695 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 t -60.35 -51.29 70.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.769 1.228 . . . . 75.53 110.427 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 m -62.78 -34.09 76.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.5 -0.75 . . . . 74.32 110.285 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.0 mt -65.42 -47.14 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 107.221 -1.4 . . . . 71.11 107.221 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.22 69.58 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.706 -0.849 . . . . 75.11 108.706 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.58 -29.8 69.41 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.969 -0.539 . . . . 75.41 111.316 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.9 t -65.11 -44.85 87.42 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.537 1.062 . . . . 74.45 108.774 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.6 -39.62 94.83 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 108.968 -0.753 . . . . 75.4 108.968 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.06 -41.26 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 117.552 -1.213 . . . . 64.41 108.046 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -59.24 -42.13 90.34 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.608 1.549 . . . . 71.13 110.181 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 m -60.4 -48.94 79.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.667 -0.864 . . . . 51.22 108.667 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.45 -43.51 98.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 124.32 1.048 . . . . 75.01 109.826 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -60.61 -40.86 93.4 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 125.394 1.478 . . . . 72.35 110.275 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -58.13 -40.23 80.73 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.548 -0.908 . . . . 75.14 108.548 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 -33.75 58.19 Favored 'General case' 0 C--O 1.231 0.13 0 O-C-N 121.772 -0.58 . . . . 73.54 110.366 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -28.73 64.37 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.099 0.96 . . . . 72.2 110.002 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -22.32 60.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.596 0.758 . . . . 63.34 111.132 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -115.52 -27.98 6.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.631 1.572 . . . . 62.35 111.134 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.39 69.46 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 119.465 1.03 . . . . 72.44 111.201 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -149.68 118.56 6.66 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 118.766 1.283 . . . . 74.3 108.791 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 m -134.34 122.78 23.11 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 124.477 1.111 . . . . 72.32 109.788 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -66.53 153.76 92.53 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 107.176 -1.416 . . . . 70.14 107.176 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -61.63 -29.55 84.24 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.537 2.158 . . . . 73.03 113.525 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -62.12 -58.56 7.36 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.653 -0.499 . . . . 71.53 109.653 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.54 -30.79 71.18 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.442 -0.786 . . . . 61.53 110.417 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.12 -39.77 93.67 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.601 -0.889 . . . . 75.41 108.601 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -69.98 -32.67 71.01 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.644 1.178 . . . . 73.13 111.398 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 71' ' ' MET . . . -57.34 -32.08 66.37 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.314 0.506 . . . . 64.31 111.064 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.1 -41.55 97.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.857 0.863 . . . . 70.23 110.212 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.88 -58.3 7.19 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.487 1.115 . . . . 74.31 109.833 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 68' ' ' ALA . 24.4 ptp -56.27 -37.68 70.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.431 -0.211 . . . . 71.51 110.431 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.67 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.982 0.513 . . . . 63.02 111.179 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -59.32 -48.79 80.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 118.493 0.588 . . . . 75.2 110.193 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.88 -27.12 60.11 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.235 0.614 . . . . 55.21 112.059 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 t -54.6 -56.1 22.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 64.44 109.513 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.7 t -57.48 -38.76 75.07 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.316 1.046 . . . . 54.21 110.662 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.54 -45.15 94.94 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.137 -0.935 . . . . 73.31 110.801 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -40.19 62.79 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.502 1.046 . . . . 41.32 111.078 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -55.57 -54.98 37.33 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.119 1.767 . . . . 73.12 109.522 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mm -75.62 -26.03 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.634 -0.666 . . . . 54.03 109.887 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.26 76.77 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.514 -1.367 . . . . 75.11 111.204 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.75 58.01 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 117.844 -1.074 . . . . 55.44 113.348 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -62.61 156.53 23.03 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 119.762 1.165 . . . . 71.44 108.419 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.61 -28.2 62.62 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.371 -0.831 . . . . 74.32 110.037 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -75.26 154.08 37.65 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.893 0.877 . . . . 62.34 111.004 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.44 -155.34 22.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.24 -1.544 . . . . 63.45 109.24 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.37 -4.97 85.19 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.162 -0.799 . . . . 43.53 114.697 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.32 -16.65 6.29 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 117.844 -1.531 . . . . 64.12 114.651 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.21 149.3 36.17 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 120.508 2.154 . . . . 75.42 114.625 -178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -70.37 -49.16 51.97 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.165 -1.05 . . . . 75.11 108.165 178.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -24.7 67.33 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.625 -0.672 . . . . 74.23 112.667 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 m -73.05 -30.8 63.98 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.571 -1.331 . . . . 74.0 109.084 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -51.93 36.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.557 1.143 . . . . 64.14 112.044 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -59.28 -39.18 82.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 119.212 0.915 . . . . 72.34 112.646 -179.297 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -42.06 95.3 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.594 -0.521 . . . . 60.33 109.594 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -30.48 68.23 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.694 -0.629 . . . . 53.14 111.087 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 94' ' ' THR . 11.9 mt -66.62 -49.25 76.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.188 0 N-CA-C 107.715 -1.217 . . . . 73.53 107.715 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.44 -41.41 80.45 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.588 0.709 . . . . 33.31 110.611 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.9 m -63.76 -47.92 79.04 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.74 -0.663 . . . . 71.44 109.868 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.49 87.23 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.232 0.469 . . . . 74.31 111.146 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.66 -47.44 85.37 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 125.321 1.449 . . . . 75.41 108.839 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.5 m -55.96 -49.83 72.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.63 -0.878 . . . . 52.04 108.63 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.13 95.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.013 -0.994 . . . . 72.44 110.684 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.86 85.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.075 1.35 . . . . 72.15 111.912 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -48.78 70.06 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.811 -1.181 . . . . 72.51 107.811 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -39.45 88.61 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.741 -0.599 . . . . 75.01 109.504 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -69.56 -4.59 19.72 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.356 1.463 . . . . 74.43 113.095 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.6 p -115.9 -45.82 2.86 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.599 1.09 . . . . 73.22 110.157 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.4 p -125.67 -11.36 6.71 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 115.805 1.78 . . . . 72.25 115.805 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.23 1.61 88.23 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.784 1.175 . . . . 72.11 113.124 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.54 151.3 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 119.486 1.643 . . . . 74.2 108.563 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -126.53 152.86 34.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.265 1.426 . . . . 73.33 109.355 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -127.7 100.97 6.18 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.575 2.35 . . . . 72.54 107.065 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.04 -49.24 85.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 N-CA-C 115.727 1.751 . . . . 54.2 115.727 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.26 -33.82 23.18 Favored 'Trans proline' 0 C--N 1.351 0.668 0 CA-C-N 122.263 1.844 . . . . 43.1 111.67 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -59.94 -36.39 76.97 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.044 -0.724 . . . . 63.4 109.044 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.87 -41.02 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 O-C-N 121.321 -0.862 . . . . 74.45 108.716 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -59.78 -51.85 67.98 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 119.37 -0.348 . . . . 75.55 111.685 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.03 -30.16 67.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.111 0.964 . . . . 63.35 112.086 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.6 mm -71.3 -48.87 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 105.787 -1.931 . . . . 73.24 105.787 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 p -61.37 -35.43 77.45 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.842 0.746 . . . . 60.45 110.481 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.93 -38.98 80.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.631 -0.699 . . . . 71.12 109.604 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.27 -47.95 82.06 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.64 -51.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 118.699 0.681 . . . . 72.21 110.23 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.5 m -61.06 -44.08 97.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.767 0.827 . . . . 53.12 112.378 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.6 ttp -55.79 -37.48 68.65 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.831 . . . . 74.0 110.09 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -78.1 -46.16 21.48 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.453 1.101 . . . . 74.41 110.209 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.48 80.12 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.836 1.654 . . . . 61.52 113.457 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -80.7 -15.42 56.56 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.29 1.036 . . . . 71.3 110.851 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 53.81 42.82 31.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.472 2.309 . . . . 74.35 109.569 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 177.49 150.11 8.27 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.564 -1.014 . . . . 73.14 110.564 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.32 164.27 14.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.292 1.037 . . . . 73.53 109.546 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -149.17 -165.91 2.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.563 1.545 . . . . 64.22 108.829 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.29 165.37 26.32 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.433 -1.417 . . . . 74.33 111.723 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.2 p -165.31 150.07 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.18 1.792 . . . . 54.21 107.441 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.9 p -79.78 174.64 11.38 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.372 1.069 . . . . 71.15 111.266 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 N-CA-C 108.059 -1.089 . . . . 45.43 108.059 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.562 0 N-CA-C 111.197 -0.761 . . . . 64.4 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -77.62 94.78 4.44 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 104.936 -2.246 . . . . 64.13 104.936 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.3 -144.33 3.89 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.851 -1.3 . . . . 74.13 109.851 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -138.68 113.46 9.12 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.894 -1.15 . . . . 63.44 107.894 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -110.05 -5.17 15.48 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.217 1.191 . . . . 65.2 114.217 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -156.93 163.77 38.78 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.728 -1.582 . . . . 63.12 106.728 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.0 p -113.83 133.59 55.31 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.818 1.19 . . . . 70.0 110.014 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -151.98 146.75 18.91 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 105.856 -1.905 . . . . 70.43 105.856 179.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 8' ' ' THR . 43.3 Cg_endo -66.38 -8.49 20.78 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 124.25 3.3 . . . . 54.23 117.557 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -109.69 -14.79 14.28 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 124.215 1.006 . . . . 74.11 112.95 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -36.09 52.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.383 0.883 . . . . 61.44 113.383 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -110.8 127.3 27.15 Favored Pre-proline 0 C--O 1.233 0.188 0 N-CA-C 109.229 -0.656 . . . . 74.34 109.229 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.79 -20.82 51.82 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.173 1.915 . . . . 61.43 116.455 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.11 -58.62 6.01 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 109.537 -1.425 . . . . 74.34 109.537 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.86 -31.44 68.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.909 -0.646 . . . . 72.23 111.667 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.65 -50.69 68.29 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.631 -0.7 . . . . 72.11 110.544 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -61.5 -37.59 84.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.536 0.607 . . . . 74.0 110.207 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -68.09 -44.57 75.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.44 -0.314 . . . . 74.33 110.878 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -62.95 -47.6 82.51 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 108.314 -0.995 . . . . 74.41 108.314 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.9 mt -55.35 -49.57 71.89 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.267 1.027 . . . . 72.25 109.603 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -64.8 -45.68 85.23 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 122.793 0.437 . . . . 74.3 111.3 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.5 m -57.87 -45.37 86.43 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.757 1.223 . . . . 71.34 110.281 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.72 -50.47 70.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.227 -0.892 . . . . 75.54 109.964 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.4 mt -56.78 -47.16 80.81 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.615 0.643 . . . . 75.25 110.321 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -58.51 -31.23 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.084 0.954 . . . . 65.34 112.311 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.99 -49.5 4.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.281 -1.128 . . . . 75.44 110.281 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 33' ' ' PHE . 14.4 tp -55.73 -34.67 65.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 126.774 2.03 . . . . 72.23 112.832 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -55.06 -30.22 59.16 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.882 0.873 . . . . 53.31 112.79 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 m -108.11 6.99 27.4 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 124.022 0.929 . . . . 65.53 112.025 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.9 mmm -92.98 153.2 41.87 Favored Pre-proline 0 C--O 1.239 0.522 0 N-CA-C 108.888 -0.782 . . . . 64.31 108.888 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -75.01 74.18 4.09 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 124.332 3.355 . . . . 64.04 112.503 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.59 -91.12 0.08 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.111 1.339 . . . . 43.23 111.49 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 27' ' ' LEU . 44.6 m-85 -79.57 167.06 21.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.373 0.669 . . . . 75.54 109.573 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 171.22 11.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.096 0.959 . . . . 62.43 109.399 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.59 51.04 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.063 1.505 . . . . 64.43 115.063 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -59.31 -51.97 67.66 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.064 0.847 . . . . 74.24 110.026 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -59.91 -40.76 89.94 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.353 1.061 . . . . 72.24 111.184 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.35 -27.36 65.86 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 117.842 -1.075 . . . . 74.04 111.985 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.74 -45.07 46.45 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 119.088 0.858 . . . . 55.24 108.995 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -63.71 -36.7 84.73 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.269 -1.012 . . . . 63.03 108.269 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.44 -30.56 71.67 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.511 1.124 . . . . 74.03 111.02 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.3 t -65.15 -40.6 94.58 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 107.182 -1.414 . . . . 74.21 107.182 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -64.41 -49.94 69.57 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.248 -1.019 . . . . 73.33 108.248 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.73 -43.4 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.772 1.229 . . . . 75.22 108.982 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.07 61.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.288 0.494 . . . . 61.31 110.435 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.82 -34.5 76.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.634 0.652 . . . . 61.42 110.893 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -58.49 -39.45 80.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 108.568 -0.901 . . . . 72.2 108.568 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -41.18 70.45 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.663 -0.648 . . . . 44.14 110.061 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.26 -38.53 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.751 -0.642 . . . . 75.15 109.981 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -58.07 -43.07 86.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.986 0.812 . . . . 74.34 110.273 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.9 t -66.04 -46.46 77.77 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.565 1.546 . . . . 65.41 110.953 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.88 -45.63 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.151 -1.055 . . . . 73.22 108.151 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -60.62 -48.05 83.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 118.323 -0.846 . . . . 74.41 113.268 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 p -55.76 -46.42 77.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 119.45 1.023 . . . . 73.32 111.87 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.46 -50.52 37.29 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.192 0.597 . . . . 62.21 111.271 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.69 -42.34 78.91 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.089 0.956 . . . . 74.14 112.641 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.33 70.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.129 0.877 . . . . 51.22 112.143 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -78.57 -12.75 60.03 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.596 0.591 . . . . 74.31 112.596 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.11 22.9 72.88 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.936 1.244 . . . . 62.14 114.372 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -138.68 98.64 3.61 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.233 1.517 . . . . 74.34 111.513 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.26 94.02 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 105.918 -1.882 . . . . 75.32 105.918 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 m -57.65 140.19 80.81 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 124.348 1.059 . . . . 43.41 108.338 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.11 -26.43 73.15 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 121.852 1.702 . . . . 52.53 111.674 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.15 -58.33 5.08 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.237 -1.023 . . . . 71.34 108.237 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -30.27 70.91 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 122.91 0.484 . . . . 72.25 111.696 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.15 -42.4 76.92 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 124.304 1.042 . . . . 64.32 108.51 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.23 -36.0 72.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.508 1.123 . . . . 71.42 112.189 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.06 52.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.13 0.877 . . . . 74.24 112.71 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.4 -36.19 80.79 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.898 0.879 . . . . 53.33 109.263 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.42 89.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.588 2.355 . . . . 74.34 110.26 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -46.84 87.17 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.818 -0.808 . . . . 74.43 108.818 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.53 83.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 119.309 -0.376 . . . . 74.42 111.492 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.48 -54.69 43.74 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.432 -0.581 . . . . 61.03 109.432 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -34.57 75.98 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.999 0.52 . . . . 45.22 111.64 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -61.15 -45.21 95.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.229 -1.026 . . . . 61.44 108.229 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -66.43 -38.4 87.33 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.329 -0.857 . . . . 70.44 110.181 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.6 -42.61 93.0 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.297 -0.631 . . . . 73.51 109.297 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.41 -36.33 65.97 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.127 0.971 . . . . 73.2 112.129 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.92 -53.69 53.78 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.442 1.097 . . . . 74.42 108.757 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.86 -39.63 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 124.758 1.223 . . . . 70.32 108.663 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.78 73.13 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.997 -1.065 . . . . 64.44 112.27 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.66 -5.06 59.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.09 1.356 . . . . 75.23 112.428 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -73.83 175.07 7.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.168 0.987 . . . . 73.22 109.896 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.73 -26.58 60.75 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.202 -1.407 . . . . 72.31 107.202 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -81.92 96.34 7.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.787 -1.56 . . . . 73.33 106.787 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.26 70.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.455 -0.658 . . . . 34.14 111.455 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.45 160.47 23.31 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 109.686 -1.366 . . . . 75.0 109.686 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.96 177.92 26.66 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 109.899 -1.281 . . . . 75.04 109.899 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -82.46 143.73 30.94 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.453 -1.028 . . . . 61.32 108.928 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -39.85 94.13 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.417 1.087 . . . . 74.14 108.58 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -59.12 -38.51 79.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.234 0.614 . . . . 74.13 109.94 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.3 m -71.04 -39.85 72.06 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 120.338 -1.476 . . . . 60.1 108.245 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -58.11 -44.66 87.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.628 0.771 . . . . 71.2 111.047 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 p -61.51 -36.47 80.61 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.784 0.72 . . . . 71.41 109.256 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -72.23 -28.82 63.41 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.288 -0.882 . . . . 61.51 110.811 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -66.23 -44.06 84.85 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.897 -1.127 . . . . 64.51 108.192 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.4 mt -57.55 -48.96 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 C-N-CA 124.72 1.208 . . . . 73.1 108.884 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -53.56 -40.02 65.23 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.25 0.547 . . . . 64.24 111.856 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 t -68.92 -47.37 65.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.176 0.991 . . . . 71.42 109.104 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.24 77.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.902 0.774 . . . . 63.25 111.85 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.3 mt -62.01 -37.32 84.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.486 0.714 . . . . 73.3 110.146 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.6 74.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.029 1.332 . . . . 43.21 109.97 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -71.61 -51.22 24.39 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 109.694 -0.484 . . . . 73.53 109.694 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.19 57.75 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.047 1.129 . . . . 55.42 114.047 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -41.51 64.55 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 118.492 0.587 . . . . 63.41 111.617 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.45 -32.91 74.1 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.473 -0.566 . . . . 73.23 109.473 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.93 -45.03 87.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.606 0.639 . . . . 64.35 109.737 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -57.67 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.897 1.443 . . . . 70.53 114.897 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.635 HG23 HG12 ' A' ' 111' ' ' VAL . 2.5 t -125.67 -13.36 6.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.798 1.036 . . . . 75.43 113.798 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.96 25.37 32.08 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.768 1.167 . . . . 63.24 113.521 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 109' ' ' THR . 9.9 p -131.79 141.67 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.658 -1.608 . . . . 73.52 106.658 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.43 109.72 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.814 -1.18 . . . . 70.33 107.814 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.81 99.91 11.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 107.904 -1.147 . . . . 73.41 107.904 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -46.83 -54.22 21.18 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 125.339 1.456 . . . . 42.52 112.164 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.21 -30.54 54.88 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.112 1.875 . . . . 74.13 112.137 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -66.09 -34.01 77.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.063 -1.088 . . . . 73.32 108.063 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.95 -47.87 30.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.27 -1.382 . . . . 70.43 107.27 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.3 -43.83 71.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.417 1.087 . . . . 75.34 113.614 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.8 -34.52 75.67 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.728 -0.607 . . . . 72.51 111.61 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 31.1 mm -74.49 -41.13 49.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 108.788 -0.819 . . . . 72.34 108.788 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 98' ' ' ALA . 70.6 p -64.15 -32.38 73.93 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.375 -0.602 . . . . 74.34 109.375 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -62.57 -41.67 99.08 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.186 -0.911 . . . . 74.03 109.545 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.2 -43.75 95.67 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.522 1.055 . . . . 63.02 110.115 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.6 t -59.57 -44.7 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.654 -0.869 . . . . 64.02 108.654 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -60.93 -48.28 82.54 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.754 0.822 . . . . 70.14 111.411 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -66.09 -40.66 90.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 122.803 0.441 . . . . 61.13 110.653 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.25 -39.09 92.21 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.448 0.567 . . . . 74.25 109.542 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.51 81.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.178 -0.439 . . . . 60.44 110.409 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -66.96 -31.36 71.88 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.762 0.71 . . . . 73.23 111.728 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 50.44 39.08 19.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.006 0.922 . . . . 72.33 112.521 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -164.43 -175.6 35.4 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 126.601 2.048 . . . . 63.01 109.419 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.2 ttm -133.41 47.16 2.5 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.61 1.164 . . . . 61.12 108.718 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.1 t-20 -77.09 73.08 3.67 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.115 -1.068 . . . . 65.24 108.115 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 45.29 35.9 2.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.606 2.362 . . . . 75.34 112.207 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.1 159.84 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.611 1.164 . . . . 71.15 110.3 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 157.11 36.9 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.867 -0.52 . . . . 73.43 111.216 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.801 2.04 . . . . 75.14 107.695 178.784 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.461 0 N-CA-C 108.88 -1.688 . . . . 42.53 108.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m 59.85 -10.0 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 117.196 2.295 . . . . 70.53 117.196 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.62 14.67 2.44 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 121.445 1.93 . . . . 71.33 114.229 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -152.8 -54.89 0.12 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 127.138 2.175 . . . . 73.13 108.757 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -73.85 -2.86 25.47 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 116.096 1.887 . . . . 72.31 116.096 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -126.82 89.69 3.03 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.638 1.563 . . . . 74.34 110.217 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -89.33 -179.13 5.79 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 105.741 -1.948 . . . . 74.34 105.741 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -147.05 143.02 17.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 103.02 -2.956 . . . . 70.5 103.02 178.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' A' ' 8' ' ' THR . 13.0 Cg_endo -52.68 -44.54 46.91 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 CA-C-N 121.88 1.707 . . . . 71.53 113.163 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -60.82 -15.44 30.1 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 125.39 1.476 . . . . 74.05 113.443 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.3 p -99.22 -19.08 17.3 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.502 -1.237 . . . . 63.22 113.081 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -133.61 129.94 20.65 Favored Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 121.135 1.789 . . . . 73.44 109.309 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.97 -47.16 7.07 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.43 1.42 . . . . 61.4 110.988 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.57 -23.9 61.22 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.554 0.616 . . . . 60.2 112.602 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 tp -85.82 -40.6 15.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.021 1.411 . . . . 60.22 109.21 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.31 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.73 -0.841 . . . . 74.31 108.73 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.61 -52.7 59.0 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.295 1.438 . . . . 72.01 108.816 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -68.53 -34.42 75.83 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.133 0.424 . . . . 74.51 111.32 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.19 -47.34 86.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.093 -1.077 . . . . 75.24 108.093 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.46 -51.05 56.07 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.529 1.532 . . . . 63.31 109.858 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.12 -52.84 61.98 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.778 0.831 . . . . 65.53 112.895 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 t -64.61 -30.54 71.56 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.3 0.954 . . . . 75.2 111.599 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.13 -53.04 19.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.787 -0.82 . . . . 75.13 108.787 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.71 -43.32 85.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.315 1.046 . . . . 70.25 110.118 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.71 -44.41 69.81 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 125.001 1.321 . . . . 70.1 111.996 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.79 -36.97 14.25 Favored Glycine 0 N--CA 1.447 -0.596 0 O-C-N 123.763 0.665 . . . . 32.45 112.659 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -40.08 82.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.648 1.224 . . . . 75.44 110.526 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -61.88 -24.09 66.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.612 1.096 . . . . 64.25 111.713 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -90.07 -6.81 55.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.147 1.779 . . . . 64.33 112.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.8 mmm -101.35 164.74 15.39 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.525 1.53 . . . . 74.33 113.443 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -85.51 13.6 2.71 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 124.279 3.32 . . . . 62.31 111.946 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -78.82 0.87 Allowed Glycine 0 CA--C 1.522 0.517 0 O-C-N 120.739 -1.226 . . . . 60.24 111.198 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -112.94 125.86 54.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 106.284 -1.747 . . . . 72.45 106.284 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.6 p -75.38 169.81 17.33 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.267 1.027 . . . . 72.2 110.363 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.59 -42.16 61.72 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.197 0.999 . . . . 61.54 110.568 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -59.45 -38.9 81.93 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.051 0.541 . . . . 60.12 111.411 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.24 -35.73 55.19 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.469 -0.769 . . . . 64.44 110.167 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.57 -33.12 74.32 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 118.571 -0.728 . . . . 74.44 109.462 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -50.9 -50.21 57.82 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.987 1.715 . . . . 54.32 111.181 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.99 -41.06 60.25 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.725 0.41 . . . . 61.53 109.956 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.79 -30.93 69.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.799 -1.096 . . . . 61.34 112.539 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -40.39 96.32 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 120.166 1.348 . . . . 54.45 108.585 178.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -66.33 -40.04 89.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 108.603 -0.888 . . . . 65.11 108.603 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.77 -37.27 79.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.482 -0.761 . . . . 61.13 109.217 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.11 81.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.992 0.917 . . . . 72.42 110.092 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.56 -37.1 77.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.647 -0.658 . . . . 63.11 109.899 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -61.68 -23.67 66.25 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.14 0.976 . . . . 63.3 112.769 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.67 -54.84 5.28 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.989 -1.485 . . . . 70.01 106.989 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.95 -47.6 79.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 125.827 1.651 . . . . 60.55 112.074 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -52.57 -49.07 65.7 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.964 0.802 . . . . 54.4 110.507 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.0 m -64.39 -34.08 77.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.608 -0.711 . . . . 74.12 111.432 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.4 -38.22 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 107.427 -1.323 . . . . 61.0 107.427 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -65.7 -40.85 92.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.265 0.939 . . . . 72.43 108.898 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -60.72 -49.38 77.72 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.44 1.496 . . . . 64.2 109.051 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.63 -33.33 75.42 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 121.266 -0.896 . . . . 72.22 110.478 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -29.13 67.06 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.707 -0.62 . . . . 74.23 110.714 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.49 -24.57 63.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.039 0.935 . . . . 73.42 112.026 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -114.36 -23.7 9.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.173 0.897 . . . . 75.1 111.294 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.79 33.71 66.34 Favored Glycine 0 C--N 1.34 0.793 0 N-CA-C 111.497 -0.641 . . . . 74.33 111.497 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -143.85 87.77 1.94 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 118.019 0.91 . . . . 72.22 109.521 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 m -105.33 105.13 15.02 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 103.345 -2.835 . . . . 73.32 103.345 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 m -56.13 145.32 56.12 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 108.588 -0.894 . . . . 62.12 108.588 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -58.77 -31.25 94.7 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.882 2.388 . . . . 64.45 112.89 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.27 -57.48 12.19 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.183 0.593 . . . . 55.51 110.002 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -66.47 -30.54 70.91 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-O 118.766 -0.635 . . . . 65.32 110.861 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.35 -43.16 95.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.147 0.979 . . . . 73.34 109.737 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -71.94 -39.07 69.69 Favored 'General case' 0 N--CA 1.46 0.06 0 O-C-N 121.621 -0.674 . . . . 73.5 111.65 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.92 -25.31 42.53 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.786 0.661 . . . . 54.32 112.786 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.66 -38.7 75.55 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.964 0.906 . . . . 55.1 109.959 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.66 -45.71 88.76 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.279 1.032 . . . . 74.52 109.589 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 78.5 mtm -63.2 -49.48 74.05 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 109.524 -0.547 . . . . 64.3 109.524 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.47 74.59 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.546 0.612 . . . . 65.25 111.86 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.4 -50.05 61.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.15 0.98 . . . . 74.14 110.482 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -30.99 69.01 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.703 -0.623 . . . . 44.52 112.5 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -59.81 -44.29 94.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.863 1.265 . . . . 74.42 111.095 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 p -71.82 -32.03 67.14 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.634 1.107 . . . . 61.02 110.229 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.75 -41.82 99.39 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 108.422 -0.955 . . . . 73.24 108.422 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.4 -32.33 68.31 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 123.875 0.87 . . . . 61.11 111.136 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.4 -54.95 41.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.857 -1.164 . . . . 71.35 107.857 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.4 mm -74.41 -13.95 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.095 1.758 . . . . 71.23 111.325 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.43 -37.39 37.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 120.395 -1.441 . . . . 43.53 107.5 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.1 44.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.492 1.117 . . . . 74.33 112.847 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 m -66.89 156.73 34.98 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.029 0.831 . . . . 70.32 110.352 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -77.19 179.34 6.4 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 122.1 0.952 . . . . 73.05 109.218 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 74.15 -40.08 0.44 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 129.323 3.049 . . . . 63.23 113.557 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.93 132.77 11.63 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 119.331 0.969 . . . . 75.21 114.294 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.18 -167.5 39.44 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 123.739 0.685 . . . . 53.42 112.998 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.71 -44.18 0.77 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 126.214 1.864 . . . . 74.51 110.209 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -141.41 143.5 33.96 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.632 1.573 . . . . 52.43 108.021 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.1 -47.97 77.97 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 126.166 1.786 . . . . 72.11 113.065 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.6 m -60.22 -35.64 75.91 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.537 1.062 . . . . 40.31 110.296 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -67.88 -44.57 76.72 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.614 -1.254 . . . . 73.23 107.614 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -53.06 -51.38 61.97 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.313 1.845 . . . . 53.04 109.738 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 97' ' ' ILE . 30.3 p -63.97 -39.61 94.53 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.477 -0.564 . . . . 72.31 109.477 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.3 t -61.13 -38.57 86.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.485 0.584 . . . . 43.23 110.346 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -60.17 -36.95 78.73 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.828 0.74 . . . . 50.33 111.324 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.597 HD11 ' CE1' ' A' ' 33' ' ' PHE . 10.1 mt -61.77 -45.53 98.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.828 -1.082 . . . . 72.43 110.151 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.58 -39.49 80.48 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.656 1.116 . . . . 61.44 110.166 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 m -65.14 -45.82 83.47 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.646 -0.501 . . . . 64.22 109.646 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.01 96.19 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 109.748 -0.464 . . . . 43.44 109.748 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.06 -47.53 85.5 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 124.293 1.037 . . . . 74.44 108.571 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.7 m -52.39 -54.48 31.39 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.825 0.85 . . . . 61.43 110.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -62.12 -39.6 93.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.888 0.475 . . . . 74.51 111.348 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.74 -30.99 67.67 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.647 -0.658 . . . . 74.42 112.46 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -33.06 74.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.874 1.27 . . . . 55.23 109.842 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 106' ' ' LEU . 2.9 mm? -60.17 -27.07 66.81 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.335 1.054 . . . . 42.33 109.742 177.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.24 -5.96 54.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.466 1.506 . . . . 73.43 113.373 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.9 p -103.71 -55.37 2.4 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 119.192 0.905 . . . . 74.03 110.741 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.9 p -125.14 -9.99 7.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.194 0.998 . . . . 73.32 113.574 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.98 12.03 84.8 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 118.892 -0.949 . . . . 62.12 112.261 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.37 141.98 44.84 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 107.275 -1.38 . . . . 74.34 107.275 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.36 125.86 71.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 104.994 -2.225 . . . . 71.53 104.994 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -127.47 112.76 15.33 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.409 0.684 . . . . 73.32 110.018 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -46.99 -59.43 5.3 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 116.209 -1.853 . . . . 75.2 113.987 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.96 -28.27 35.74 Favored 'Trans proline' 0 C--N 1.349 0.588 0 CA-C-N 122.53 1.939 . . . . 74.53 113.818 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -67.69 -43.42 80.17 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 118.917 0.781 . . . . 73.13 109.602 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 55.9 mt -75.43 -41.76 42.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.051 0.941 . . . . 63.53 110.016 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -55.62 -37.63 68.43 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.37 1.068 . . . . 72.32 112.162 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.97 -30.37 71.35 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 121.719 -0.613 . . . . 65.22 112.484 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.3 -45.85 85.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.807 -1.923 . . . . 74.31 105.807 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 98' ' ' ALA . 5.5 p -65.46 -33.31 75.65 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 118.283 -0.865 . . . . 53.34 110.632 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.31 -44.45 95.42 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 107.82 -1.178 . . . . 72.42 107.82 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.47 -42.71 83.13 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.626 1.103 . . . . 55.31 110.456 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.49 -51.48 67.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 118.028 0.377 . . . . 55.24 110.181 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 p -62.95 -39.85 95.9 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.693 -0.629 . . . . 64.34 111.457 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.6 ttp -59.83 -45.99 90.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.15 1.78 . . . . 62.31 109.191 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -69.16 -51.63 36.21 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 124.095 0.872 . . . . 73.14 110.065 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.89 10.5 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.8 1.037 . . . . 62.21 113.8 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.45 ' C ' ' H ' ' A' ' 131' ' ' GLY . 16.8 mm-40 -72.53 -62.37 1.47 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.081 -0.711 . . . . 72.22 109.081 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.68 -21.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.245 3.018 . . . . 54.54 113.36 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 129' ' ' GLN . . . -75.52 -174.25 35.27 Favored Glycine 0 N--CA 1.438 -1.187 0 C-N-CA 127.408 2.432 . . . . 64.24 111.657 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.4 ttt -99.24 -90.45 0.3 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.57 1.548 . . . . 75.42 108.133 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -153.43 170.16 21.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 125.328 1.451 . . . . 62.54 108.175 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -135.6 173.16 12.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.586 1.955 . . . . 54.1 108.927 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.53 164.42 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 124.743 1.217 . . . . 65.54 110.529 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -84.38 -179.4 7.17 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 123.094 1.426 . . . . 72.02 110.04 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.044 1 C-N-CA 135.083 5.353 . . . . 74.53 102.404 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.64 0 N-CA-C 108.649 -1.78 . . . . 44.12 108.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.56 83.71 3.95 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 107.596 -1.261 . . . . 75.02 107.596 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 -167.04 33.47 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.207 -0.757 . . . . 72.32 111.207 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -71.85 90.35 1.11 Allowed 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.091 0.957 . . . . 64.23 109.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -49.95 62.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.745 -0.835 . . . . 75.24 108.745 179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -160.53 144.9 14.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.424 1.49 . . . . 64.35 107.979 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 p -145.18 104.91 4.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.034 -1.099 . . . . 71.02 108.034 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 p -134.08 156.18 79.4 Favored Pre-proline 0 C--O 1.24 0.564 0 O-C-N 121.471 -0.768 . . . . 62.12 109.446 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 91.0 Cg_endo -72.83 4.96 3.21 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.7 2.934 . . . . 65.1 110.313 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -108.33 -17.74 13.93 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.423 1.489 . . . . 55.45 109.901 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -89.72 -24.84 21.45 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.057 0.943 . . . . 73.4 111.392 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -120.5 128.88 25.59 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 121.349 -0.845 . . . . 74.05 109.982 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.96 -27.11 17.84 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.827 2.352 . . . . 74.1 112.457 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.44 38.91 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 108.76 -1.736 . . . . 70.14 108.76 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -39.76 94.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.829 -0.804 . . . . 73.35 108.829 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.97 98.46 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.257 0.623 . . . . 50.52 110.058 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.02 -43.53 86.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.067 -0.968 . . . . 72.41 108.427 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.61 -49.58 74.64 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.959 0.8 . . . . 74.32 109.843 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.47 -52.62 63.04 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 118.284 0.493 . . . . 73.33 111.183 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.98 -43.09 99.74 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.762 0.825 . . . . 71.22 110.526 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -61.21 -52.57 64.24 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.04 0.536 . . . . 63.5 109.585 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.1 m -58.89 -48.05 82.79 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.17 1.388 . . . . 74.24 110.372 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -58.75 -53.94 52.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.525 0.73 . . . . 73.24 111.385 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.84 -44.44 93.18 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.897 -0.573 . . . . 70.1 110.881 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -55.29 -51.0 68.1 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.754 0.821 . . . . 34.52 109.555 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.98 -48.21 73.79 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 118.726 0.694 . . . . 71.31 111.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -33.75 70.6 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.858 -0.789 . . . . 55.32 111.603 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.2 p -59.6 -20.15 53.85 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 114.26 1.207 . . . . 75.41 114.26 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.02 -4.61 17.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.213 1.405 . . . . 72.32 112.077 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.3 mmm -91.01 158.14 42.11 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 125.554 1.542 . . . . 64.24 109.486 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.5 -10.67 25.66 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.751 1.634 . . . . 51.41 114.647 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -88.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.662 1.601 . . . . 70.24 113.775 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -95.52 128.29 42.26 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 106.739 -1.578 . . . . 72.23 106.739 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 p -70.71 165.01 23.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.325 0.583 . . . . 74.1 109.997 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -26.88 45.28 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.742 1.217 . . . . 53.31 113.268 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -68.78 -54.85 13.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.223 1.809 . . . . 73.23 108.203 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.05 -38.6 79.73 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.983 0.913 . . . . 75.21 109.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.18 -27.43 65.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 118.423 -0.799 . . . . 73.54 112.188 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -69.31 -51.27 38.78 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.934 0.788 . . . . 61.35 109.604 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.01 -35.78 79.57 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 109.116 -0.698 . . . . 61.23 109.116 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.2 -29.58 67.59 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.0 1.72 . . . . 73.33 110.495 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -56.02 -41.19 74.53 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.915 0.886 . . . . 75.34 110.325 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -69.22 -46.04 68.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.357 -0.609 . . . . 75.02 109.357 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.67 -43.04 53.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.658 1.183 . . . . 71.33 108.636 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.92 -53.49 53.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.487 -0.758 . . . . 63.45 110.441 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -60.02 -31.4 69.91 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.181 0.9 . . . . 65.11 111.071 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.7 t -66.55 -46.05 77.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.87 1.268 . . . . 74.11 108.665 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.35 -46.15 90.96 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.226 -0.921 . . . . 64.12 109.369 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.64 -38.23 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 118.725 0.693 . . . . 74.23 110.557 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -58.15 -39.58 79.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 119.761 1.164 . . . . 73.12 110.494 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -62.49 -40.85 98.02 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.907 0.776 . . . . 61.41 109.221 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.3 mt -61.59 -49.54 83.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 107.042 -1.466 . . . . 52.2 107.042 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.93 -42.75 76.61 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.904 0.775 . . . . 75.23 111.15 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -51.92 -51.58 55.96 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.802 0.728 . . . . 73.32 110.481 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.57 -47.23 19.95 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.779 0.832 . . . . 64.34 113.216 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.54 -38.54 66.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 125.719 1.608 . . . . 72.13 111.474 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.23 70.74 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.214 0.461 . . . . 72.35 110.541 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -86.16 -12.29 50.27 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.079 0.854 . . . . 74.25 110.46 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.04 33.28 62.54 Favored Glycine 0 C--N 1.341 0.84 0 CA-C-N 118.892 0.769 . . . . 63.2 111.379 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -147.8 126.61 12.66 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.402 1.101 . . . . 72.32 109.038 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 92.56 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.609 1.564 . . . . 64.43 110.794 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' ' HE3' ' A' ' 65' ' ' LYS . 12.3 t -57.71 144.34 73.73 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 107.368 -1.345 . . . . 72.11 107.368 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -62.92 -30.13 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.759 2.306 . . . . 73.04 110.799 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -64.65 -57.38 9.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.345 -0.613 . . . . 74.22 109.345 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 62' ' ' SER . 18.3 ptpt -66.04 -34.51 78.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 118.887 -0.577 . . . . 72.15 111.461 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.23 -44.77 96.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.566 1.147 . . . . 62.45 109.51 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.49 -31.82 73.1 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.09 0.956 . . . . 54.35 110.899 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.31 -25.09 61.47 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.536 -0.745 . . . . 35.34 111.71 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.01 -41.46 82.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.641 1.11 . . . . 73.22 109.697 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.42 -48.07 83.34 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 107.201 -1.407 . . . . 72.13 107.201 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.7 mtm -63.34 -39.85 95.68 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.122 0.569 . . . . 75.21 110.993 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -48.71 80.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.778 -1.201 . . . . 40.03 110.483 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.14 -58.6 7.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.966 1.707 . . . . 73.13 111.578 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.52 70.04 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 61.43 112.648 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 t -66.99 -49.54 65.03 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.045 -1.094 . . . . 65.54 108.045 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 m -63.77 -34.43 77.88 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.74 -0.6 . . . . 64.12 110.433 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -46.47 90.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.733 -0.84 . . . . 74.22 108.733 178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.09 92.17 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 118.839 -0.601 . . . . 71.53 111.03 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.47 -55.31 25.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.603 0.761 . . . . 74.53 110.513 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.5 mm -63.52 -38.53 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 108.473 -0.936 . . . . 75.42 108.473 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.37 78.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 114.401 1.26 . . . . 64.14 114.401 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.85 45.96 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.686 0.995 . . . . 72.12 113.686 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.7 m -59.5 168.55 1.54 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.337 1.236 . . . . 72.54 114.337 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.12 -15.47 61.99 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.821 0.849 . . . . 72.44 112.67 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 11.0 pt-20 -83.94 162.42 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 125.573 1.549 . . . . 75.24 108.583 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.96 110.75 0.06 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.471 -1.452 . . . . 64.24 109.471 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.46 162.52 28.95 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.697 -1.472 . . . . 54.14 110.928 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.62 139.56 5.66 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.823 1.201 . . . . 72.52 112.093 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 t -65.69 155.8 34.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.391 1.076 . . . . 61.13 110.279 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.3 64.15 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.82 1.248 . . . . 61.32 110.858 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -33.23 75.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.478 1.511 . . . . 74.02 112.048 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.6 m -77.42 -54.58 6.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.065 -1.457 . . . . 74.03 107.065 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -47.55 -53.47 14.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.498 2.319 . . . . 63.34 111.209 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.492 ' HA ' HD12 ' A' ' 97' ' ' ILE . 3.2 p -54.56 -52.23 62.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.349 1.06 . . . . 71.4 111.101 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -63.5 -33.76 76.28 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.744 0.817 . . . . 53.31 112.624 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -65.86 -32.4 73.9 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 120.933 -1.104 . . . . 61.0 111.685 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 94' ' ' THR . 19.5 mt -63.96 -46.18 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 117.896 -1.05 . . . . 65.02 110.908 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.83 -36.36 72.17 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.921 1.237 . . . . 61.43 110.365 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.7 t -72.58 -32.5 66.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.233 0.613 . . . . 54.4 110.741 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.93 -36.21 49.61 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.044 -1.035 . . . . 64.35 109.23 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.02 -47.58 85.28 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 125.415 1.486 . . . . 65.54 111.334 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -53.08 -53.49 49.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 119.071 0.851 . . . . 74.52 109.301 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -57.11 -46.14 82.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.402 0.681 . . . . 72.51 110.822 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.42 80.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.154 0.582 . . . . 14.05 111.845 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -68.33 -31.92 71.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.419 1.009 . . . . 62.43 110.504 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.26 -29.51 70.82 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.071 -1.018 . . . . 65.01 109.01 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -79.58 -19.29 49.75 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.462 1.105 . . . . 75.53 112.859 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.5 p -102.04 -45.57 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 120.097 1.317 . . . . 74.34 112.863 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.4 p -119.14 -25.17 6.24 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.485 0.921 . . . . 74.22 113.485 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.65 13.95 78.95 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 107.334 -2.306 . . . . 75.23 107.334 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.2 t -125.05 125.19 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 126.55 1.94 . . . . 73.44 109.638 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 125.85 68.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 106.057 -1.831 . . . . 72.12 106.057 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -127.66 113.32 15.9 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.325 1.05 . . . . 75.31 109.285 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -46.64 -54.06 21.38 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 126.222 1.809 . . . . 64.54 113.097 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -72.48 -33.46 8.67 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.31 2.007 . . . . 71.45 113.292 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.88 -45.06 93.69 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 118.94 0.791 . . . . 74.23 109.266 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 34.2 mt -68.73 -40.99 82.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.052 -1.092 . . . . 75.42 108.052 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -58.76 -40.47 83.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.044 -1.455 . . . . 73.21 111.549 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.83 -45.73 59.73 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.478 1.111 . . . . 75.42 110.501 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.0 mm -62.75 -42.32 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 124.397 1.079 . . . . 71.12 109.163 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.523 HG21 ' HB2' ' A' ' 98' ' ' ALA . 8.4 p -72.26 -39.43 68.39 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.887 0.767 . . . . 73.53 112.646 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -54.7 -46.3 74.14 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 107.751 -1.203 . . . . 73.12 107.751 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.5 -44.63 89.51 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.322 0.649 . . . . 52.13 110.597 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.97 -50.76 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 119.674 1.125 . . . . 74.33 109.323 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -55.31 -48.98 73.31 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.779 1.231 . . . . 72.13 111.038 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -60.68 -42.3 96.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.56 1.544 . . . . 52.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -69.95 -56.61 6.56 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.107 0.412 . . . . 72.54 110.393 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.05 7.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.799 1.239 . . . . 70.43 113.003 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -74.27 -22.92 59.1 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.752 1.019 . . . . 62.41 113.752 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 54.34 16.36 1.22 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.053 1.741 . . . . 53.53 114.131 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 174.43 162.56 26.27 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 108.621 -1.792 . . . . 45.12 108.621 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 13.5 ptp -165.57 133.78 3.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.311 1.444 . . . . 73.51 107.449 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.13 -55.03 38.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.977 0.911 . . . . 64.41 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.94 168.86 18.77 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 128.872 2.869 . . . . 71.12 104.644 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.4 p -124.79 150.7 29.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.099 0.959 . . . . 72.35 110.553 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.4 t -55.62 -67.37 0.29 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.834 2.054 . . . . 72.52 112.696 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 124.889 1.276 . . . . 61.15 110.484 -178.543 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 N-CA-C 111.365 -0.694 . . . . 75.52 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -129.9 -172.83 2.87 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.304 1.441 . . . . 72.22 109.585 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.96 -174.01 55.32 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 121.495 0.497 . . . . 70.33 112.359 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -60.99 156.73 17.05 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.81 1.644 . . . . 63.23 109.333 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -68.43 -55.4 12.01 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.276 -1.009 . . . . 73.41 108.276 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -65.03 128.97 37.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.243 1.417 . . . . 74.42 110.226 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -146.31 164.68 31.6 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.593 -1.632 . . . . 72.11 106.593 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.531 ' H ' HG22 ' A' ' 11' ' ' THR . 23.1 p -141.52 163.51 40.78 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 124.882 1.273 . . . . 64.54 108.385 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.87 -12.42 28.52 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.249 1.3 . . . . 73.03 110.456 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -93.26 -30.47 15.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.07 1.348 . . . . 73.12 111.723 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 8' ' ' THR . 1.5 t -78.26 -17.94 55.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.67 1.123 . . . . 52.0 110.014 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.49 117.34 51.23 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 108.871 -0.789 . . . . 72.34 108.871 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.3 -32.12 27.1 Favored 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.03 3.153 . . . . 51.02 114.664 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.98 -42.61 51.68 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 109.062 -1.615 . . . . 45.44 109.062 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -41.29 96.59 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 106.699 -1.593 . . . . 65.31 106.699 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.14 71.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 0.856 . . . . 62.33 109.695 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -49.03 78.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.907 0.483 . . . . 64.24 109.798 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -58.76 -46.83 86.58 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.632 1.173 . . . . 50.24 111.021 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 28.7 t80 -62.85 -46.34 88.33 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.667 1.587 . . . . 54.53 110.494 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.85 -44.82 92.0 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.732 -0.651 . . . . 73.24 109.425 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -67.06 -51.76 50.62 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.202 0.601 . . . . 53.13 112.02 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 m -57.8 -44.31 86.25 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.916 1.286 . . . . 63.21 111.552 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 30.5 t80 -61.23 -45.0 96.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.308 -0.627 . . . . 75.31 109.308 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.77 -46.5 87.74 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.648 -0.501 . . . . 64.21 109.648 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -57.58 -37.09 72.6 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.154 0.981 . . . . 74.14 111.73 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.92 -37.47 15.99 Favored Glycine 0 CA--C 1.523 0.587 0 O-C-N 121.552 -0.717 . . . . 72.13 111.609 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 48.4 tp -64.34 -37.61 88.1 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.956 1.702 . . . . 72.0 112.299 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.2 p -57.3 -28.85 63.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.418 1.008 . . . . 64.43 111.896 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.2 m -92.64 -10.85 35.88 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.522 1.529 . . . . 54.14 112.448 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.9 mmm -95.06 150.57 37.9 Favored Pre-proline 0 CA--C 1.53 0.201 0 C-N-CA 124.763 1.225 . . . . 64.44 110.779 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.58 88.06 1.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.425 2.083 . . . . 53.33 108.4 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.21 -71.01 0.01 OUTLIER Glycine 0 CA--C 1.517 0.194 0 N-CA-C 110.917 -0.873 . . . . 71.13 110.917 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -125.4 116.95 22.67 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.396 -2.075 . . . . 72.23 105.396 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -68.94 164.56 21.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.85 0.75 . . . . 72.14 109.568 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.07 60.76 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.988 0.915 . . . . 42.23 113.022 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -61.52 -38.56 87.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.315 0.961 . . . . 45.25 109.697 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -68.62 -33.01 73.3 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.027 0.931 . . . . 71.04 108.557 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.64 -24.63 62.74 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 121.469 -0.769 . . . . 73.1 113.018 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -60.9 -47.44 86.37 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.667 -0.864 . . . . 73.11 108.667 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.46 -45.93 90.2 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.023 0.929 . . . . 73.42 110.29 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -29.69 66.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.939 2.095 . . . . 74.44 111.774 178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.5 m -64.71 -34.64 78.79 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.759 0.709 . . . . 72.41 109.925 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -74.68 -41.86 59.49 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 108.218 -1.03 . . . . 55.44 108.218 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.4 -41.1 88.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 108.81 -0.811 . . . . 74.41 108.81 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.33 -53.01 62.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.661 1.184 . . . . 63.14 108.929 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.54 -40.2 68.43 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.477 0.711 . . . . 64.41 111.823 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.7 t -55.53 -43.45 75.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.976 0.807 . . . . 75.12 110.195 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.27 -47.12 77.79 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.252 -0.647 . . . . 60.14 109.252 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.37 -43.94 98.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 118.179 -0.915 . . . . 74.1 110.882 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.08 -35.29 74.85 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 120.259 1.391 . . . . 74.44 110.324 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -65.6 -48.78 71.13 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.531 -1.285 . . . . 75.4 107.531 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.0 mt -58.62 -47.65 88.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.629 -0.878 . . . . 73.12 108.629 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -52.35 -32.11 36.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.055 1.342 . . . . 75.45 112.01 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.5 m -65.1 -53.3 47.53 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.367 0.985 . . . . 71.32 110.55 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.87 -33.69 57.85 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 118.884 -0.579 . . . . 73.45 112.151 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.29 -31.73 69.39 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.454 1.101 . . . . 63.13 110.019 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.83 58.74 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.292 1.037 . . . . 71.22 111.496 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -115.0 -17.02 11.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.203 1.801 . . . . 61.44 111.4 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.46 26.31 72.14 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.291 0.948 . . . . 64.24 112.862 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -128.94 107.42 9.61 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.828 1.314 . . . . 72.12 110.429 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 p -126.58 112.33 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.329 1.452 . . . . 73.42 110.943 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -55.19 139.74 64.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 106.527 -1.657 . . . . 63.14 106.527 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -64.9 -42.48 14.58 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.268 1.978 . . . . 73.3 110.47 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -58.64 -47.26 85.01 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-O 122.215 1.007 . . . . 71.13 109.922 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -64.74 -44.7 89.29 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.511 0.725 . . . . 74.34 110.688 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.56 -38.05 86.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.0 0.52 . . . . 73.2 109.745 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.46 -31.96 73.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.838 . . . . 65.02 109.723 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.29 67.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 118.457 -0.782 . . . . 74.22 111.228 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.22 -40.62 74.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 119.766 1.166 . . . . 62.44 109.225 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -61.64 -50.71 71.42 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.781 1.232 . . . . 65.41 107.731 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.9 mtm -61.02 -44.37 97.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.342 0.657 . . . . 65.24 109.847 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.67 76.54 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.908 0.883 . . . . 53.43 111.039 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -57.48 -52.66 64.49 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.335 1.454 . . . . 72.31 110.723 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.85 -35.24 76.06 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.306 -0.246 . . . . 61.11 111.044 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.4 m -65.21 -46.44 80.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.37 -0.974 . . . . 65.41 108.37 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.6 m -56.92 -43.14 81.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.386 0.674 . . . . 63.0 109.57 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -52.49 65.02 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.06 -0.719 . . . . 73.24 109.06 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -32.86 70.62 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 118.057 -0.973 . . . . 75.11 113.149 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.94 -54.8 18.47 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.214 0.915 . . . . 73.42 109.222 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.33 -38.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.856 -0.794 . . . . 73.53 108.856 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.4 -25.29 67.09 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 117.94 -1.029 . . . . 75.51 111.931 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.0 -17.11 20.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 62.52 111.412 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -66.93 -53.96 26.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.385 0.993 . . . . 73.54 110.023 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -144.32 172.66 12.62 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.762 0.825 . . . . 74.3 109.373 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -85.21 161.31 19.64 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.853 -1.154 . . . . 71.35 108.575 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -156.25 19.77 0.47 Allowed Glycine 0 CA--C 1.524 0.595 0 O-C-N 120.809 -1.182 . . . . 64.45 113.497 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.73 25.89 0.2 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.705 1.145 . . . . 63.01 112.062 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 123.86 -177.8 16.59 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-N 119.045 1.423 . . . . 50.24 112.503 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 m -54.91 169.77 0.21 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 127.954 2.502 . . . . 74.31 114.297 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD2' ' HB1' ' A' ' 128' ' ' ALA . 2.5 mp -56.9 -47.92 79.42 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.489 -0.93 . . . . 74.5 108.489 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -60.11 -39.89 87.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.019 0.928 . . . . 64.45 111.46 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -64.34 -49.65 70.86 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.6 -52.25 62.77 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.616 1.166 . . . . 73.34 110.258 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.7 p -53.01 -52.13 59.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.858 0.863 . . . . 70.41 111.338 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.4 t -59.7 -42.09 92.21 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.748 -0.595 . . . . 74.34 110.717 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -61.78 -41.1 97.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.333 1.053 . . . . 75.44 110.991 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.38 -51.78 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 124.627 1.171 . . . . 75.4 109.389 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.29 90.62 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.069 0.461 . . . . 74.24 109.956 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -58.81 -38.0 77.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.852 -0.613 . . . . 52.0 110.068 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.92 -44.08 33.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.153 0.981 . . . . 74.01 112.161 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -53.48 -39.62 64.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.43 1.492 . . . . 71.21 112.599 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.2 t -56.8 -40.7 76.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.26 0.224 . . . . 50.2 110.617 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -70.56 -33.56 71.25 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.523 -0.736 . . . . 74.15 110.977 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.72 84.95 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.254 -0.647 . . . . 75.43 109.254 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -44.47 73.47 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.112 1.365 . . . . 55.31 111.897 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.16 -27.95 67.53 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.723 1.209 . . . . 73.53 112.425 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.76 -43.55 10.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.728 1.211 . . . . 53.34 111.406 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' PHE . 72.8 p -66.64 -52.37 45.78 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.127 1.158 . . . . 75.32 114.127 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 t -125.43 -17.22 5.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.42 1.267 . . . . 64.32 114.42 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.66 -3.06 87.67 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.83 1.195 . . . . 60.4 114.021 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.36 155.12 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 125.8 1.64 . . . . 70.11 106.707 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.7 p -126.94 136.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.086 0.954 . . . . 74.03 108.977 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -124.42 93.67 3.98 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.715 1.206 . . . . 70.34 109.882 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -49.21 -49.45 69.87 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-O 117.333 -1.318 . . . . 44.23 113.866 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -68.22 -35.1 20.0 Favored 'Trans proline' 0 C--N 1.354 0.837 0 CA-C-N 121.835 1.691 . . . . 62.23 111.986 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.03 -47.8 76.12 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 108.743 -0.836 . . . . 73.43 108.743 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.07 -44.38 91.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.383 -0.969 . . . . 43.53 108.383 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -63.16 -35.87 81.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 119.179 -0.438 . . . . 73.12 111.68 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -36.71 80.37 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.971 0.805 . . . . 65.52 111.481 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 51.6 mm -64.68 -51.45 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 107.104 -1.443 . . . . 65.52 107.104 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . 0.298 14.1 t -65.43 -33.44 75.94 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-O 117.951 -1.024 . . . . 71.35 112.011 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -59.64 -33.84 72.04 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.126 1.33 . . . . 70.53 109.533 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.3 mt -73.98 -45.47 49.91 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 117.645 -1.169 . . . . 71.31 109.816 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 t -61.03 -43.48 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.045 1.293 . . . . 70.4 108.483 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -60.58 -52.94 63.02 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.951 1.7 . . . . 70.34 109.297 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.0 ttp -60.66 -39.94 90.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.87 0.759 . . . . 62.12 111.57 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.63 -49.8 61.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.255 0.55 . . . . 72.55 111.873 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -72.95 -46.99 49.34 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.825 0.676 . . . . 73.31 112.825 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -74.43 -21.0 59.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.897 0.771 . . . . 55.43 112.884 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.25 51.98 12.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.19 1.796 . . . . 63.21 110.222 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.5 103.93 0.21 Allowed Glycine 0 C--N 1.338 0.691 0 CA-C-O 119.52 -0.6 . . . . 64.04 112.38 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 43.7 tpp -69.06 162.13 27.57 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.428 -0.953 . . . . 61.42 108.428 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.9 164.34 27.13 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.575 1.15 . . . . 71.22 111.363 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.92 -57.94 4.82 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 124.447 1.099 . . . . 73.23 108.94 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.94 128.85 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.443 -0.577 . . . . 74.35 109.443 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.3 m -138.67 166.38 24.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.011 1.324 . . . . 52.1 108.765 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.812 1.645 . . . . 75.41 106.808 179.011 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.676 0 N-CA-C 110.764 -0.935 . . . . 72.2 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -104.87 -6.89 19.77 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.83 1.252 . . . . 70.43 111.978 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.57 -19.27 0.1 Allowed Glycine 0 C--N 1.341 0.823 0 CA-C-O 118.47 -1.183 . . . . 61.5 115.743 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -84.75 77.3 10.09 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.15 1.975 . . . . 74.44 109.788 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -109.09 -12.63 14.81 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 115.435 1.643 . . . . 74.15 115.435 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -148.22 84.54 1.51 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 120.111 1.323 . . . . 74.13 111.477 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -68.52 116.18 8.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.043 -1.095 . . . . 62.13 108.043 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.4 p -147.23 161.94 34.49 Favored Pre-proline 0 C--O 1.236 0.388 0 O-C-N 121.385 -0.822 . . . . 74.41 111.334 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.64 11.7 1.84 Allowed 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.129 1.886 . . . . 62.21 110.589 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -114.78 -21.6 10.09 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 119.945 1.248 . . . . 71.14 110.699 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -86.56 -18.78 30.63 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.571 0.623 . . . . 63.21 111.653 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -116.48 131.16 24.0 Favored Pre-proline 0 N--CA 1.463 0.199 0 N-CA-C 107.722 -1.214 . . . . 72.42 107.722 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.26 -40.58 4.4 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 123.241 2.627 . . . . 72.53 111.799 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.58 84.49 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.716 -1.354 . . . . 44.42 109.716 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.66 -34.9 79.38 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.817 0.809 . . . . 72.51 109.146 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.91 75.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.262 -1.385 . . . . 75.13 107.262 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.36 -43.77 88.52 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.31 -0.626 . . . . 72.22 109.31 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -61.63 -46.54 89.35 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.431 1.014 . . . . 72.01 110.42 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -59.39 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.684 1.194 . . . . 74.42 110.153 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.4 mt -59.38 -50.34 74.35 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.013 1.725 . . . . 73.03 110.621 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -61.41 -47.83 84.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.001 0.92 . . . . 74.14 111.292 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.6 m -60.22 -45.29 93.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.282 0.633 . . . . 74.12 109.334 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CE1' HD22 ' A' ' 27' ' ' LEU . 94.0 t80 -59.45 -54.03 51.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.037 -0.506 . . . . 75.12 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.8 mt -58.06 -43.44 86.9 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.831 1.253 . . . . 73.31 112.506 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.72 -51.23 70.68 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.493 0.717 . . . . 75.13 110.657 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.62 -33.2 63.78 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.87 -0.681 . . . . 61.31 111.458 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 23' ' ' PHE . 20.0 tp -64.92 -35.0 79.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 117.495 -1.24 . . . . 75.04 111.825 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -58.05 -34.75 70.44 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.069 0.85 . . . . 54.52 110.158 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.8 m -78.58 -32.49 47.69 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.268 0.627 . . . . 64.24 111.008 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.6 mmm -65.58 160.46 60.11 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 124.4 1.08 . . . . 63.4 112.164 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.4 7.97 4.17 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.68 2.92 . . . . 62.32 113.821 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.6 -73.37 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.465 1.031 . . . . 71.21 110.796 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' CD1' HD21 ' A' ' 27' ' ' LEU . 86.4 m-85 -112.05 174.64 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.281 1.032 . . . . 75.11 109.338 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.4 p -114.79 165.45 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.416 1.887 . . . . 75.35 107.786 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.57 68.61 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.176 0.444 . . . . 64.0 112.11 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -57.36 -46.39 83.39 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.35 0.595 . . . . 61.43 110.28 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.41 -36.31 71.31 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.395 -0.815 . . . . 74.03 110.17 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -60.62 -24.32 65.41 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.098 0.959 . . . . 75.33 111.976 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.97 -50.15 37.62 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.246 1.018 . . . . 74.1 108.5 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.3 -42.75 92.76 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.989 -0.745 . . . . 64.25 108.989 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.41 -30.64 60.83 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.751 1.22 . . . . 74.03 111.451 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -67.72 -40.64 84.23 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.135 -0.691 . . . . 71.44 109.135 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.7 m -67.23 -36.86 82.55 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.068 -1.086 . . . . 65.24 108.068 178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.09 -52.73 58.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 106.926 -1.509 . . . . 72.4 106.926 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.87 68.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.191 0.996 . . . . 50.2 110.392 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -59.19 -39.44 82.61 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.98 -0.533 . . . . 71.41 111.5 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -40.49 73.52 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.959 0.799 . . . . 75.22 109.998 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 mt -67.14 -47.33 71.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.937 0.895 . . . . 64.32 109.538 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.71 -44.92 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 C-N-CA 124.271 1.028 . . . . 72.44 110.299 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -50.65 -53.22 32.7 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.627 0.771 . . . . 74.54 110.939 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 m -66.41 -37.48 85.31 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.787 -0.625 . . . . 71.43 111.609 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.21 -37.8 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.531 -1.224 . . . . 73.2 108.596 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -58.72 -51.93 67.85 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.145 1.339 . . . . 73.33 108.778 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -54.01 -50.51 66.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.615 1.166 . . . . 71.5 111.543 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.05 -44.96 78.84 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.257 0.623 . . . . 74.22 111.528 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.54 77.0 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.02 0.928 . . . . 71.02 110.908 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.47 -47.85 72.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.567 0.747 . . . . 64.42 109.713 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.19 -21.42 39.65 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.69 -0.671 . . . . 60.34 112.089 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.92 27.93 69.64 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 119.122 0.874 . . . . 31.21 112.561 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -140.93 112.01 7.21 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 125.179 1.391 . . . . 64.41 107.846 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 m -136.32 124.22 22.72 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.019 -1.104 . . . . 74.01 108.019 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 m -56.25 138.16 74.28 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 107.893 -1.151 . . . . 63.35 107.893 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.41 -46.11 12.99 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 121.963 1.775 . . . . 54.14 111.486 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.43 -29.8 70.53 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.568 0.622 . . . . 63.45 111.219 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -51.14 60.05 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 106.948 -1.501 . . . . 71.21 106.948 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 tp -56.28 -43.96 79.34 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.892 1.277 . . . . 61.21 109.473 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.86 -35.65 81.34 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.793 1.637 . . . . 62.34 111.538 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.05 65.33 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.551 -0.738 . . . . 53.22 111.636 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.82 -38.51 91.22 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 119.074 0.852 . . . . 72.31 109.969 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -61.77 -41.56 97.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.805 -0.813 . . . . 74.23 108.805 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.1 ttp -66.45 -43.77 84.64 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 118.037 -0.982 . . . . 75.15 109.072 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.16 92.66 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.21 0.914 . . . . 33.44 110.305 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.39 -44.79 95.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.795 0.838 . . . . 74.55 108.881 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.68 72.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.249 1.02 . . . . 64.11 112.521 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -64.93 -36.24 83.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 119.604 1.093 . . . . 64.12 110.024 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.8 m -65.3 -34.48 78.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.204 0.911 . . . . 73.43 109.918 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.32 -41.93 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.042 -0.725 . . . . 74.43 109.042 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.14 -45.03 64.38 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.923 1.289 . . . . 52.11 110.612 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -55.94 -53.99 50.23 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 73.22 109.863 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.88 -30.13 47.28 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 122.859 0.464 . . . . 65.43 110.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.16 -32.23 73.55 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.311 0.959 . . . . 61.51 109.638 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.39 -30.87 37.85 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.168 -0.678 . . . . 60.33 109.168 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 m -61.29 -43.91 98.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.484 -0.561 . . . . 54.34 109.484 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -151.32 140.95 21.72 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.595 0.634 . . . . 55.44 109.734 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -65.49 168.58 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.737 0.78 . . . . 74.53 112.821 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.87 57.39 0.68 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 107.01 -2.436 . . . . 61.31 107.01 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.99 36.95 93.62 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.776 -0.93 . . . . 31.31 110.776 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.48 -175.3 27.83 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 126.359 1.933 . . . . 71.3 110.789 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.2 m -58.75 162.79 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.453 1.501 . . . . 62.0 113.443 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 90' ' ' LEU . 5.4 mp -61.3 -27.19 68.31 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.364 1.466 . . . . 72.41 112.194 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -58.93 -54.25 49.23 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.96 1.304 . . . . 74.14 111.088 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.7 m -55.25 -37.26 66.99 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.398 0.679 . . . . 65.13 111.843 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -54.7 -43.62 72.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.376 0.67 . . . . 75.12 111.157 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 p -62.17 -33.49 74.62 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.452 0.569 . . . . 61.24 109.844 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -70.86 -35.66 72.48 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.412 -0.958 . . . . 52.54 108.412 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -68.81 -47.72 65.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.984 -1.117 . . . . 72.22 107.984 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.1 mt -56.38 -48.05 80.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 C-N-CA 126.711 2.004 . . . . 64.21 109.197 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.08 81.81 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 119.241 0.928 . . . . 72.1 109.894 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -38.86 87.89 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 109.249 -0.648 . . . . 72.3 109.249 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.79 -29.56 66.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.744 -1.222 . . . . 75.21 110.591 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.67 -38.84 84.31 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.664 -1.235 . . . . 74.22 107.664 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m -56.93 -29.74 63.36 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.673 0.608 . . . . 65.25 110.261 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -73.5 -54.49 8.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.789 -1.194 . . . . 64.51 109.111 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.4 67.85 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.665 1.357 . . . . 62.24 114.665 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.42 -26.96 68.68 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.86 1.209 . . . . 65.44 111.329 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.9 -41.3 59.99 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.297 -1.372 . . . . 62.34 107.297 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.78 -34.9 78.21 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 118.008 -0.996 . . . . 63.21 110.077 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 43.2 p -79.14 -59.72 2.66 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 120.787 1.63 . . . . 74.33 113.013 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.7 p -124.88 -8.23 7.24 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 115.408 1.632 . . . . 74.13 115.408 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.03 35.88 14.44 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 109.7 -1.36 . . . . 73.32 109.7 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.8 134.82 65.39 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.343 1.072 . . . . 54.03 109.809 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . 0.25 3.0 p -128.71 109.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 120.657 -1.277 . . . . 62.41 107.891 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.91 103.47 8.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 120.784 -1.197 . . . . 73.31 109.159 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -49.27 -49.21 71.69 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 116.049 -1.929 . . . . 65.34 114.255 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.7 -40.42 7.34 Favored 'Trans proline' 0 C--N 1.351 0.67 0 CA-C-N 123.234 2.191 . . . . 72.34 112.191 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.41 -37.88 79.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.728 1.611 . . . . 52.04 110.52 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.0 mt -75.95 -48.58 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 125.849 1.659 . . . . 75.44 108.311 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -57.96 -37.56 74.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 114.013 1.116 . . . . 73.43 114.013 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.8 -31.47 72.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 119.768 1.167 . . . . 73.41 111.182 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.0 mm -70.17 -40.98 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.049 -1.834 . . . . 64.24 106.049 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.0 p -71.35 -31.69 67.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 117.979 -1.01 . . . . 72.23 112.514 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -60.38 -33.9 73.12 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.145 0.978 . . . . 63.25 109.775 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.46 -49.38 77.78 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 107.399 -1.334 . . . . 74.23 107.399 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 t -58.66 -40.55 79.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.405 0.682 . . . . 73.52 110.07 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.4 m -62.37 -51.93 65.63 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.416 0.686 . . . . 31.5 110.266 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 63.7 ttp -60.45 -43.01 97.27 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.356 0.663 . . . . 74.54 110.202 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -67.4 -23.37 65.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.847 0.859 . . . . 71.34 112.13 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.07 -13.28 61.17 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.837 0.855 . . . . 72.41 111.174 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -107.03 -48.97 3.37 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.672 1.189 . . . . 72.41 111.233 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.83 164.05 39.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.069 1.348 . . . . 71.44 109.929 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -103.81 171.19 19.76 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 125.067 1.318 . . . . 33.03 113.319 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.2 ptp 39.53 18.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 130.104 3.362 . . . . 75.53 116.573 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -47.46 123.86 6.22 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.312 1.445 . . . . 74.45 111.339 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -107.85 139.86 41.81 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 102.733 -3.062 . . . . 74.11 102.733 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 m -99.76 173.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 124.157 0.983 . . . . 75.53 112.428 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 12.64 7.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.134 1.374 . . . . 71.43 112.888 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.409 0 N-CA-C 107.174 -1.417 . . . . 70.21 107.174 178.524 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.698 0 N-CA-C 108.622 -1.791 . . . . 73.31 108.622 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -117.8 165.96 13.03 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 124.402 1.081 . . . . 62.53 110.06 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.5 43.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.112 -1.382 . . . . 61.1 115.463 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -68.55 137.81 54.63 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.854 1.827 . . . . 73.35 108.497 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -67.2 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.93 1.085 . . . . 64.22 113.93 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -146.25 165.36 29.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.396 1.879 . . . . 65.33 107.63 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 m -128.1 103.86 7.45 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 106.65 -1.611 . . . . 74.14 106.65 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -87.12 141.13 32.77 Favored Pre-proline 0 C--O 1.24 0.59 0 N-CA-C 107.233 -1.395 . . . . 74.2 107.233 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.73 -40.56 35.97 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 121.841 1.694 . . . . 72.41 109.5 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -66.71 -8.4 27.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.85 2.46 . . . . 74.22 113.187 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -96.59 -1.91 45.95 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.785 0.834 . . . . 63.31 110.043 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -133.01 124.73 18.7 Favored Pre-proline 0 C--N 1.344 0.33 0 O-C-N 120.909 -1.119 . . . . 75.24 110.947 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.2 -32.51 42.34 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.325 2.683 . . . . 74.21 112.645 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.88 -49.05 14.51 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 109.697 -1.361 . . . . 52.1 109.697 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.88 -41.02 97.37 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.443 -0.577 . . . . 73.3 109.443 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.39 -37.19 69.78 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.656 -0.688 . . . . 64.23 111.072 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -55.86 -53.18 59.96 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.527 0.731 . . . . 75.25 109.508 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -67.34 -38.51 84.98 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.455 0.702 . . . . 74.4 109.974 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.54 -55.94 28.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.3 0.955 . . . . 70.31 108.939 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.1 mt -59.25 -46.02 89.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.912 0.885 . . . . 73.33 109.126 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -56.61 -51.85 67.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.268 0.94 . . . . 75.22 110.084 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.6 p -59.72 -34.11 72.5 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.399 0.68 . . . . 64.23 112.321 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -68.65 -51.13 45.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.031 -1.1 . . . . 72.14 108.031 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.27 -38.9 81.26 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.152 1.381 . . . . 42.41 111.109 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.31 -51.15 70.74 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.47 0.708 . . . . 73.41 109.181 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.07 -49.65 56.74 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 112.544 -0.222 . . . . 52.21 112.544 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -39.0 70.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.025 1.33 . . . . 63.11 111.669 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 t -53.43 -35.49 60.5 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 114.922 1.452 . . . . 63.24 114.922 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -99.77 -8.32 24.38 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.326 0.862 . . . . 53.43 113.326 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.4 mmm -73.59 167.51 34.25 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 70.23 110.433 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -81.25 -7.78 12.91 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.813 3.009 . . . . 74.24 117.223 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.63 -81.29 0.42 Allowed Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.702 1.144 . . . . 72.22 114.182 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -100.94 111.96 24.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.867 -1.16 . . . . 73.51 107.867 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -70.38 163.87 25.75 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 107.94 -1.133 . . . . 41.42 107.94 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -26.59 3.31 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 119.035 2.976 . . . . 70.54 119.035 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -70.01 -46.22 65.56 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 121.68 2.036 . . . . 61.44 109.193 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -59.01 -32.6 69.86 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.535 1.134 . . . . 64.53 110.338 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.41 -24.32 65.07 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.715 -0.616 . . . . 63.02 111.383 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.15 -39.95 75.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.991 0.814 . . . . 53.33 108.945 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.38 -40.71 89.87 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.033 0.933 . . . . 72.25 108.71 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -31.01 60.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 126.151 1.78 . . . . 75.34 111.022 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.5 p -58.3 -31.62 67.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.893 1.224 . . . . 64.55 111.263 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 m -71.82 -44.71 63.43 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.626 1.17 . . . . 72.05 109.233 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.88 -44.81 99.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 125.956 1.702 . . . . 73.42 107.965 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.47 57.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.795 -0.817 . . . . 73.14 108.795 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.75 -36.95 75.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.726 -0.654 . . . . 71.15 111.49 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.3 t -57.11 -47.5 80.92 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.074 0.852 . . . . 75.11 109.623 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -62.67 -44.45 96.21 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.002 -0.74 . . . . 73.4 109.002 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 119.004 0.82 . . . . 70.33 109.041 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -59.28 -41.82 89.8 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.988 0.813 . . . . 75.21 109.334 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -66.58 -39.5 88.47 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.828 -0.545 . . . . 72.34 109.642 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.88 -34.07 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 O-C-N 120.984 -1.073 . . . . 75.5 109.276 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.88 -34.27 72.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.555 1.525 . . . . 71.54 109.69 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -62.81 -37.0 85.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.11 0.964 . . . . 73.13 109.058 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 65' ' ' LYS . 26.0 mt -77.19 -38.73 50.98 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.65 1.18 . . . . 65.34 110.165 178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.04 73.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 125.405 1.482 . . . . 73.12 110.324 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.17 -40.42 73.89 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.565 1.146 . . . . 64.04 110.76 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -79.77 -21.07 44.85 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.143 0.977 . . . . 75.3 112.209 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.26 8.44 70.24 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.349 -0.695 . . . . 74.21 112.721 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -142.9 157.56 44.47 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.931 1.866 . . . . 75.42 110.452 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -138.23 110.84 7.56 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 123.743 0.817 . . . . 75.02 109.224 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -68.49 151.5 97.19 Favored Pre-proline 0 C--O 1.236 0.389 0 N-CA-C 106.78 -1.563 . . . . 74.12 106.78 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.75 -46.28 20.93 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 121.602 1.534 . . . . 63.22 111.114 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -55.14 -53.79 51.4 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.992 0.738 . . . . 63.44 112.992 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HD2' HD21 ' A' ' 55' ' ' LEU . 13.2 ptpt -72.8 -30.01 63.73 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.327 0.967 . . . . 74.54 112.531 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.49 -48.71 74.18 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 106.605 -1.628 . . . . 72.53 106.605 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.08 -39.44 92.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.27 1.428 . . . . 72.01 108.972 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.28 75.13 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.324 0.649 . . . . 73.32 111.669 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -32.69 70.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.492 1.042 . . . . 71.3 109.774 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -69.58 -32.97 72.03 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.587 -0.894 . . . . 60.13 108.587 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.6 mtm -70.64 -47.94 57.51 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 106.834 -1.543 . . . . 72.02 106.834 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -42.27 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.41 1.005 . . . . 73.33 110.363 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.41 -40.83 71.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.675 1.59 . . . . 62.41 108.775 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.73 20.74 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.687 1.195 . . . . 53.41 110.365 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -55.31 -42.76 74.15 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.427 1.491 . . . . 64.21 113.867 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 t -64.71 -31.99 73.46 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.326 -0.859 . . . . 74.51 111.936 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.25 -28.31 67.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.721 -0.612 . . . . 65.23 110.883 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.86 70.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.813 0.845 . . . . 75.41 112.842 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.65 -53.72 43.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.789 -1.189 . . . . 73.44 107.789 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.4 mm -67.87 -29.02 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 N-CA-C 108.222 -1.029 . . . . 70.13 108.222 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . . . -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.343 0.293 0 O-C-N 120.797 -1.19 . . . . 71.54 110.066 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.97 51.65 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.761 -0.637 . . . . 53.21 110.584 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -55.36 149.29 13.32 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.125 1.37 . . . . 73.13 111.648 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.72 -35.97 82.33 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.068 1.347 . . . . 73.21 111.236 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -52.97 108.82 0.35 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 127.57 2.348 . . . . 71.3 112.698 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.42 -92.01 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 N-CA-C 109.529 -1.428 . . . . 54.21 109.529 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.89 2.69 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.54 1.067 . . . . 75.22 113.496 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.8 167.35 22.77 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 119.289 1.545 . . . . 43.0 110.703 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.0 m -70.6 165.79 22.04 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.809 0.444 . . . . 60.32 109.816 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.84 -48.74 66.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.749 0.82 . . . . 74.24 110.977 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 t -69.38 -23.19 63.7 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.669 -0.645 . . . . 62.02 112.587 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.5 m -74.73 -42.2 58.73 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 106.486 -1.672 . . . . 64.5 106.486 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 81' ' ' ALA . 2.6 ttpt -61.98 -44.21 97.22 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.092 0.957 . . . . 64.41 109.372 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.446 ' HA ' HD12 ' A' ' 97' ' ' ILE . 72.4 p -57.46 -40.32 78.26 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.729 0.695 . . . . 75.43 112.677 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -65.48 -41.03 93.76 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.375 0.67 . . . . 71.52 112.373 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.1 t -51.65 -44.14 62.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 60.42 111.391 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 94' ' ' THR . 7.8 mt -58.08 -45.76 88.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 124.916 1.286 . . . . 73.41 110.58 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.45 -40.05 74.18 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 118.777 0.717 . . . . 55.44 111.158 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 m -72.76 -31.85 65.21 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.606 -0.725 . . . . 70.33 111.385 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.51 58.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.302 0.955 . . . . 53.51 110.229 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.21 -44.69 96.88 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 124.912 1.285 . . . . 72.22 111.8 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 p -57.94 -46.16 85.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 118.551 0.614 . . . . 72.53 109.929 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.31 -33.91 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.277 0.231 . . . . 72.24 110.849 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.99 -41.77 73.96 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.122 -0.986 . . . . 73.34 110.1 178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.38 96.09 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.402 -0.811 . . . . 63.44 109.389 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.0 -49.14 78.64 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.788 0.835 . . . . 70.21 110.181 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.72 -22.73 67.05 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.47 0.915 . . . . 74.14 113.47 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -91.77 -53.61 4.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.221 0.919 . . . . 51.43 113.475 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -124.63 3.81 8.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.587 1.328 . . . . 61.12 114.587 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.51 8.77 63.59 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.283 -1.287 . . . . 74.34 114.417 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.0 147.73 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 119.182 1.491 . . . . 64.25 110.116 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.34 139.81 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 105.022 -2.214 . . . . 63.51 105.022 177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -121.97 103.83 9.1 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.255 0.622 . . . . 62.1 109.496 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -47.35 -53.35 29.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-O 117.051 -1.452 . . . . 62.04 114.168 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.63 -27.61 22.1 Favored 'Trans proline' 0 C--N 1.352 0.743 0 CA-C-N 122.026 1.759 . . . . 63.45 113.026 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -67.04 -38.44 85.87 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.498 -0.927 . . . . 72.52 108.498 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 89.6 mt -74.98 -37.45 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.81 -1.182 . . . . 53.24 107.81 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.23 -38.67 77.3 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.667 0.787 . . . . 74.04 110.658 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.35 -43.62 92.77 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.901 0.319 . . . . 64.23 111.007 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.65 -34.56 65.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 123.934 0.894 . . . . 72.34 110.158 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.5 p -56.13 -42.32 76.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 118.984 0.811 . . . . 71.15 111.2 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -74.54 -33.74 62.81 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.826 1.25 . . . . 73.1 112.212 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -48.12 81.57 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 120.14 1.336 . . . . 62.14 111.338 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.06 -50.27 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 119.006 -0.521 . . . . 71.14 110.288 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.0 p -63.1 -37.67 88.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.215 0.916 . . . . 70.31 110.251 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.4 ttp -59.6 -47.0 87.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.552 0.741 . . . . 64.53 109.681 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -69.42 -39.57 77.81 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 118.822 -1.151 . . . . 71.32 109.937 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.57 92.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 115.62 1.711 . . . . 62.21 115.62 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -106.97 -16.92 14.33 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 117.128 2.27 . . . . 64.05 117.128 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 49.68 -0.79 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 129.365 3.066 . . . . 72.41 117.632 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -169.4 -2.82 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 CA-C-N 120.991 1.723 . . . . 74.14 115.267 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 mmt 52.46 32.7 11.81 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.026 1.862 . . . . 71.13 116.026 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -64.17 166.63 7.58 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.274 1.397 . . . . 72.23 109.747 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -74.0 169.56 17.23 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.529 -0.732 . . . . 73.35 112.927 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 136' ' ' SER . 9.7 p -154.93 178.97 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.62 1.568 . . . . 72.11 108.954 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.5 m -132.78 134.62 44.94 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.273 1.829 . . . . 64.4 106.835 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.845 2.058 . . . . 72.34 107.088 179.345 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 N-CA-C 110.464 -1.054 . . . . 51.41 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m 44.86 46.85 9.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.02 0.928 . . . . 64.05 112.986 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.93 -133.79 0.9 Allowed Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.599 -1.8 . . . . 63.23 108.599 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.2 t30 56.73 9.47 0.59 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.457 1.28 . . . . 73.0 114.457 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -46.78 19.74 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 120.462 -1.398 . . . . 64.52 110.424 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -73.32 100.62 3.21 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 106.225 -1.768 . . . . 70.44 106.225 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -106.05 159.53 15.99 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.038 0.835 . . . . 75.44 109.828 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.45 150.66 37.81 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 124.185 0.994 . . . . 64.41 109.112 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.95 -45.02 11.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.317 2.678 . . . . 72.11 109.291 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -60.06 -22.6 62.9 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.761 2.024 . . . . 73.52 112.596 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m -75.36 -17.92 60.11 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.835 -1.078 . . . . 65.04 111.697 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -122.17 125.8 26.47 Favored Pre-proline 0 C--N 1.342 0.247 0 CA-C-N 120.816 1.644 . . . . 54.34 109.87 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.42 -26.56 76.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.352 . . . . 63.34 112.016 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.06 -53.24 7.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.079 -1.208 . . . . 73.33 110.079 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -41.5 93.31 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.446 -0.946 . . . . 73.41 108.446 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.05 95.61 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.061 0.944 . . . . 64.05 110.62 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.3 -47.28 84.98 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.333 -0.988 . . . . 64.13 108.333 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -60.58 -41.5 94.77 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 117.84 0.291 . . . . 61.15 110.407 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.64 -46.98 87.39 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.012 -0.736 . . . . 64.03 109.012 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 48' ' ' LEU . 22.5 mt -63.4 -53.02 58.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 123.39 0.676 . . . . 73.42 110.564 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -55.18 -48.11 74.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.852 0.861 . . . . 74.31 110.718 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 t -58.01 -43.78 86.89 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.566 0.747 . . . . 45.52 110.997 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -65.65 -51.41 59.69 Favored 'General case' 0 CA--C 1.523 -0.073 0 O-C-N 121.697 -0.627 . . . . 74.33 110.003 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.5 mt -53.86 -41.93 68.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.48 1.512 . . . . 54.32 111.905 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.6 -50.62 73.17 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.362 0.665 . . . . 73.05 110.461 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.75 41.48 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-O 119.635 -0.536 . . . . 53.33 112.149 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 33' ' ' PHE . 2.7 tm? -53.85 -38.03 64.25 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 125.735 1.614 . . . . 72.34 110.966 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -55.57 -41.63 73.57 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.644 0.778 . . . . 73.24 110.888 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -90.2 -6.07 55.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.428 1.091 . . . . 64.2 112.921 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 74.3 mmm -81.02 160.06 66.87 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 119.534 1.061 . . . . 53.35 110.69 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.5 17.23 0.95 Allowed 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.893 3.062 . . . . 61.52 112.861 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.44 -84.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 109.584 -1.407 . . . . 62.44 109.584 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD11 ' A' ' 27' ' ' LEU . 60.3 m-85 -95.05 178.65 5.48 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.353 -0.98 . . . . 73.43 108.353 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.34 170.26 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.021 1.328 . . . . 73.32 108.388 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.98 -39.72 41.9 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.833 0.853 . . . . 60.23 112.996 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 t -59.46 -56.63 19.59 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.987 -0.746 . . . . 61.34 108.987 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.24 -35.31 78.55 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.537 0.735 . . . . 65.02 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.12 -24.4 67.12 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 120.873 -1.142 . . . . 55.42 112.491 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.16 -35.47 78.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.226 0.921 . . . . 64.4 109.983 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -73.47 -43.74 59.56 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.718 1.207 . . . . 71.22 108.971 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.58 -31.41 56.78 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.702 1.201 . . . . 52.01 113.301 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -48.38 81.94 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.834 0.854 . . . . 72.34 110.743 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 m -67.45 -41.11 85.26 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.91 1.284 . . . . 50.01 110.142 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.46 -42.06 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 N-CA-C 107.513 -1.291 . . . . 74.51 107.513 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.84 94.48 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.645 -0.659 . . . . 55.24 110.37 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.36 -46.45 90.15 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.922 0.783 . . . . 65.31 109.269 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 m -54.93 -35.37 64.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.728 0.811 . . . . 65.02 110.831 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 20' ' ' LEU . 3.0 mp -63.46 -55.82 21.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.475 -0.766 . . . . 53.12 109.316 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.54 -39.68 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 119.136 -0.459 . . . . 75.44 110.078 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.98 -43.61 91.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.766 0.826 . . . . 75.14 110.355 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.2 m -66.42 -36.46 82.87 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.39 -0.819 . . . . 74.45 110.163 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.27 -42.02 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 118.093 -0.956 . . . . 62.23 109.547 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -56.52 -34.99 67.54 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.555 1.07 . . . . 73.04 110.244 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t -66.82 -53.6 31.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.616 0.767 . . . . 73.32 110.437 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.88 -31.97 71.29 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.097 -1.002 . . . . 74.54 111.467 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.54 90.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.859 -1.163 . . . . 61.41 107.859 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.24 -14.71 41.15 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.772 1.229 . . . . 72.32 113.863 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -98.93 -25.71 14.5 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.388 0.995 . . . . 53.14 109.537 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 3.73 55.13 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.13 -0.981 . . . . 63.14 112.099 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -131.63 107.81 9.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.421 1.611 . . . . 63.43 110.363 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -121.04 127.04 51.35 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.109 -1.071 . . . . 71.52 108.109 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 p -76.04 156.34 84.17 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.087 -1.449 . . . . 64.05 107.087 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.1 -31.79 35.8 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.658 1.572 . . . . 72.11 108.997 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.22 -58.22 6.53 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.657 0.783 . . . . 65.22 109.902 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -62.41 -40.25 95.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.972 0.805 . . . . 72.45 111.221 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.04 -49.0 79.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.348 0.522 . . . . 63.54 110.39 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.24 -42.27 65.85 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.713 0.805 . . . . 55.42 112.488 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' HB1' HG11 ' A' ' 135' ' ' VAL . . . -56.05 -33.53 65.07 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.222 1.009 . . . . 71.12 112.22 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 mt -60.5 -36.25 77.9 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.032 -0.729 . . . . 72.4 109.032 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -66.53 -34.66 78.4 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.324 1.05 . . . . 75.21 110.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -63.16 -44.47 95.4 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 107.889 -1.152 . . . . 65.3 107.889 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.62 94.57 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.856 0.863 . . . . 52.12 110.668 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.4 -56.86 16.73 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.514 0.726 . . . . 74.21 110.185 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.07 77.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.074 0.55 . . . . 72.31 111.796 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 t -59.06 -44.83 91.87 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.374 1.07 . . . . 44.21 110.124 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -65.52 -33.07 75.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.943 -0.473 . . . . 73.34 110.698 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.98 -34.89 79.02 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.094 0.861 . . . . 73.44 108.993 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.68 -38.27 83.47 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 118.469 -0.777 . . . . 72.55 111.512 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -54.35 45.13 Favored 'General case' 0 N--CA 1.461 0.081 0 N-CA-C 109.208 -0.664 . . . . 64.34 109.208 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.91 -40.13 86.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 108.379 -0.971 . . . . 62.12 108.379 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.36 73.77 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.118 -0.989 . . . . 55.13 112.515 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.99 -8.89 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.411 1.084 . . . . 23.32 112.568 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -64.44 169.64 4.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 122.173 0.987 . . . . 65.44 110.597 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -79.22 8.3 6.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.289 1.835 . . . . 73.34 113.358 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -121.3 164.09 17.57 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.87 1.668 . . . . 72.12 108.399 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.56 88.43 1.76 Allowed Glycine 0 C--N 1.335 0.516 0 N-CA-C 109.398 -1.481 . . . . 44.2 109.398 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.73 138.66 41.08 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.906 -1.278 . . . . 41.35 109.906 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.92 129.07 6.38 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 105.076 -3.209 . . . . 74.14 105.076 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 161.09 1.21 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 117.573 0.686 . . . . 72.21 111.067 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -37.33 64.65 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.895 -1.128 . . . . 75.34 111.351 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -68.33 -31.28 70.58 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.953 0.797 . . . . 63.13 110.738 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -73.14 -48.06 38.72 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 105.732 -1.951 . . . . 72.13 105.732 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -51.78 -48.59 63.7 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 126.522 1.929 . . . . 70.04 109.546 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 97' ' ' ILE . 16.4 p -58.93 -49.77 76.57 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.961 0.801 . . . . 62.13 109.705 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -52.92 -38.55 61.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.115 1.366 . . . . 70.33 112.498 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.69 85.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.762 0.71 . . . . 74.55 111.985 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.7 mt -60.99 -43.88 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.102 0 CA-C-O 118.392 -0.813 . . . . 74.31 109.88 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.24 73.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.332 0.969 . . . . 44.12 110.511 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -70.27 -47.52 60.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.755 -0.831 . . . . 61.01 108.755 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.59 -37.76 87.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.535 0.607 . . . . 62.41 110.709 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.38 -48.55 81.27 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.032 1.333 . . . . 74.11 108.168 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -56.32 -45.35 80.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.501 0.72 . . . . 71.14 110.012 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -63.08 -45.68 90.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.511 0.324 . . . . 51.12 110.612 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.34 -44.44 95.52 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.696 1.198 . . . . 64.21 111.35 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -62.59 -42.31 99.49 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.733 -0.84 . . . . 75.31 108.733 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.83 -33.29 75.52 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.846 -0.534 . . . . 73.25 111.615 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.64 -31.79 62.08 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 119.441 1.019 . . . . 72.04 111.586 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.6 p -87.75 -47.03 8.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 118.085 -0.96 . . . . 41.32 113.4 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.6 p -125.17 -6.07 7.21 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.666 1.358 . . . . 72.23 114.666 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.58 72.21 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.291 -1.283 . . . . 61.11 112.315 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.9 115.72 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 119.803 1.802 . . . . 72.3 108.126 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.01 135.79 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.601 1.56 . . . . 64.45 109.592 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -128.21 107.13 9.53 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.156 1.382 . . . . 74.02 107.62 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -47.27 -58.79 6.52 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-O 116.711 -1.614 . . . . 72.34 115.324 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -64.61 -39.71 26.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.153 1.902 . . . . 71.12 112.852 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -56.01 -41.05 74.29 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 123.759 0.824 . . . . 74.42 109.782 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.91 -43.3 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.218 1.407 . . . . 65.35 109.54 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -57.48 -36.61 71.7 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.893 0.877 . . . . 71.14 112.196 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.53 -33.26 67.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.065 0.946 . . . . 75.13 111.345 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.7 mm -69.21 -51.85 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.828 -1.545 . . . . 72.41 106.828 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 p -61.25 -28.53 69.24 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.873 0.323 . . . . 72.24 111.873 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -63.21 -41.81 99.2 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 117.993 -1.003 . . . . 60.21 108.609 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.77 -47.56 85.78 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 107.594 -1.261 . . . . 74.25 107.594 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.0 t -55.18 -51.38 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.954 -0.387 . . . . 75.12 109.954 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 t -63.81 -40.49 96.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.245 0.475 . . . . 61.24 111.478 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.0 ttp -62.29 -44.11 97.28 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.028 0.831 . . . . 71.23 108.813 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.85 -39.2 90.55 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.141 0.428 . . . . 74.23 109.899 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.9 -16.66 63.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.51 -0.757 . . . . 41.04 112.641 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -106.71 -58.32 1.95 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.947 0.899 . . . . 73.24 111.999 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.51 -35.44 15.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.318 1.447 . . . . 70.01 114.122 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 41.74 -139.47 1.94 Allowed Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.293 1.902 . . . . 31.41 113.708 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 24.66 57.11 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 1 C-N-CA 132.229 4.212 . . . . 64.52 115.948 178.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.92 157.11 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.1 2.16 . . . . 60.33 105.316 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -157.66 170.89 21.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.248 -1.019 . . . . 74.04 108.248 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.403 HG11 ' HB1' ' A' ' 68' ' ' ALA . 2.3 t -79.1 -37.23 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 107.775 -1.195 . . . . 52.42 107.775 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.72 21.93 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.847 0.859 . . . . 64.22 108.808 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.361 0 C-N-CA 129.567 3.147 . . . . 74.43 104.427 179.723 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.817 0 N-CA-C 110.194 -1.163 . . . . 55.35 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -62.46 115.03 3.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.011 0.925 . . . . 75.24 109.784 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.34 -33.54 0.19 Allowed Glycine 0 CA--C 1.522 0.5 0 C-N-CA 124.154 0.883 . . . . 64.34 111.971 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.16 71.78 4.65 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 107.049 -1.463 . . . . 64.23 107.049 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 p -56.52 -47.48 79.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.59 1.556 . . . . 74.34 114.232 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -74.33 140.17 44.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.932 -1.136 . . . . 61.55 107.932 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.58 156.01 36.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.598 0.759 . . . . 62.43 110.125 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.54 147.49 60.0 Favored Pre-proline 0 C--O 1.237 0.414 0 N-CA-C 107.649 -1.241 . . . . 55.2 107.649 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.04 -37.56 25.5 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.871 1.714 . . . . 72.05 111.054 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -70.59 -13.16 61.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.907 0.883 . . . . 65.32 113.346 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.1 m -84.55 -22.06 30.25 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.615 -0.707 . . . . 72.4 111.774 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -123.95 129.96 24.59 Favored Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 119.727 1.148 . . . . 44.44 109.746 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' ALA . 62.4 Cg_endo -68.77 -30.89 26.57 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.247 1.965 . . . . 73.23 110.841 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.94 -33.1 82.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.161 -1.176 . . . . 73.15 110.161 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -46.59 28.46 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.816 -1.179 . . . . 54.43 107.816 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 -50.43 65.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.317 -0.849 . . . . 74.24 110.955 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.98 -36.49 70.42 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.634 0.652 . . . . 71.32 110.748 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -52.2 18.92 Favored 'General case' 0 N--CA 1.462 0.133 0 O-C-N 121.349 -0.844 . . . . 74.44 110.656 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -55.93 -50.96 69.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.334 1.454 . . . . 63.52 110.734 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 mt -56.27 -48.54 76.39 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.453 -0.943 . . . . 72.11 108.453 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.16 -47.88 84.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.149 0.886 . . . . 73.51 111.072 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -54.36 -41.46 69.16 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.124 1.77 . . . . 64.34 111.535 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.14 -53.5 8.74 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.258 1.423 . . . . 72.23 110.812 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.47 -49.35 74.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.235 1.414 . . . . 74.33 113.193 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -56.72 -42.1 78.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.652 1.215 . . . . 63.23 110.368 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.52 -43.6 68.07 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 114.09 -1.414 . . . . 35.13 111.49 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.94 -32.26 73.54 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.088 1.355 . . . . 74.42 111.354 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -33.7 73.93 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 119.125 0.875 . . . . 75.24 111.509 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 m -83.61 -25.19 31.06 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.337 0.655 . . . . 72.44 110.975 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.7 mmm -71.75 155.88 91.76 Favored Pre-proline 0 CA--C 1.532 0.266 0 O-C-N 121.616 -0.677 . . . . 73.12 110.554 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.72 8.72 4.27 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 123.449 2.766 . . . . 65.23 113.802 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.61 -79.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 107.571 -2.212 . . . . 63.33 107.571 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HE1' HD11 ' A' ' 97' ' ' ILE . 24.8 m-85 -90.17 -172.63 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.257 1.023 . . . . 73.12 108.306 178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -129.26 157.44 41.84 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.362 1.865 . . . . 62.12 106.299 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.79 45.0 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.755 0.707 . . . . 73.35 111.907 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -66.57 -44.25 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 124.052 0.941 . . . . 63.32 109.306 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -68.61 -36.46 78.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.241 -1.392 . . . . 73.31 107.241 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.41 -30.9 68.79 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 121.352 -0.842 . . . . 71.35 111.949 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.77 -51.22 69.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.124 0.874 . . . . 74.13 110.39 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.71 -41.02 92.81 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.6 0.76 . . . . 73.32 110.258 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.32 -29.9 59.19 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.664 1.186 . . . . 74.43 111.598 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -59.43 -45.65 90.95 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.816 1.246 . . . . 74.24 110.406 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -64.63 -45.65 85.94 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.983 0.913 . . . . 73.55 108.609 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.15 -34.02 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 109.01 -0.737 . . . . 73.52 109.01 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.65 40.24 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 120.843 -1.161 . . . . 70.23 109.592 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -61.19 -33.91 74.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.533 -0.746 . . . . 75.31 110.048 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -55.96 -37.57 69.2 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.451 1.023 . . . . 71.02 109.434 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.53 -43.06 64.04 Favored 'General case' 0 C--N 1.34 0.16 0 O-C-N 121.228 -0.92 . . . . 40.45 108.948 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.91 -43.25 80.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.217 -1.031 . . . . 61.02 108.217 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.25 -39.82 91.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.813 0.733 . . . . 63.1 109.916 178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -60.04 -44.33 94.72 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 121.802 -0.561 . . . . 71.14 109.516 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.4 mt -67.09 -42.36 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.146 1.378 . . . . 62.42 109.106 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.8 -40.57 55.67 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.632 1.173 . . . . 72.25 111.054 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -57.53 -48.35 79.53 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.016 -0.428 . . . . 73.14 111.718 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.27 -31.5 58.31 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.149 -0.969 . . . . 65.43 109.966 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . . . -58.68 -28.58 65.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.368 1.067 . . . . 71.42 109.894 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.8 66.59 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.183 0.993 . . . . 24.04 111.363 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -103.21 -13.85 16.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.494 1.518 . . . . 63.12 109.793 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.15 67.39 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 118.648 -1.084 . . . . 73.52 113.589 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.82 140.71 38.62 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 119.717 1.759 . . . . 72.21 110.242 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 m -140.67 118.92 12.05 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.759 0.662 . . . . 62.42 110.809 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -62.26 142.73 95.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 124.559 1.144 . . . . 62.24 108.937 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.26 -32.67 50.94 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.591 2.194 . . . . 63.53 113.354 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -56.72 -57.86 10.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.753 0.706 . . . . 45.51 110.307 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -32.72 73.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 118.944 -0.55 . . . . 74.02 111.871 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.57 -46.7 88.14 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.847 -1.168 . . . . 55.31 107.847 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -71.64 -37.71 70.83 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.778 -0.452 . . . . 54.2 109.778 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.97 76.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.638 0.654 . . . . 65.42 111.427 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.252 4.3 pp -69.47 -27.55 65.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.491 0.587 . . . . 74.43 111.545 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.597 HD21 HD13 ' A' ' 120' ' ' ILE . 33.2 t30 -65.4 -36.17 83.15 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.778 0.717 . . . . 52.43 109.734 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 mtm -64.37 -35.77 81.98 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.784 -0.572 . . . . 71.15 110.726 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.52 70.88 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.577 0.626 . . . . 44.44 111.395 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -63.24 -48.87 76.38 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.096 -0.705 . . . . 70.24 109.096 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.66 76.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.535 0.734 . . . . 72.51 110.499 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -58.73 -50.66 73.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.007 -1.479 . . . . 74.1 107.007 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 m -60.11 -34.59 73.71 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.541 -0.724 . . . . 72.54 112.171 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 97' ' ' ILE . 5.3 mp -65.47 -41.72 93.06 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.11 -0.994 . . . . 72.23 109.545 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -39.63 64.21 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.897 0.879 . . . . 62.53 110.917 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -55.64 -51.88 65.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 126.694 1.998 . . . . 74.13 108.857 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.71 -36.69 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.171 -0.677 . . . . 70.44 109.171 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.0 96.12 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.985 -1.072 . . . . 62.41 111.841 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.4 4.9 11.84 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.181 2.192 . . . . 71.14 113.372 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.1 t -80.43 -150.1 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 105.77 -1.937 . . . . 65.32 105.77 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 30.5 tt0 -76.05 -161.95 0.2 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.976 -1.12 . . . . 73.22 107.976 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' H ' ' HG2' ' A' ' 84' ' ' GLU . 16.3 pt-20 -59.61 147.18 38.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.193 -0.942 . . . . 73.01 110.274 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.99 50.24 0.25 Allowed Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 117.653 -1.637 . . . . 64.41 113.344 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.87 -101.4 2.27 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 119.378 1.589 . . . . 62.15 111.948 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.41 173.34 34.01 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 117.648 0.724 . . . . 63.1 114.009 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -66.37 162.21 20.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.395 1.078 . . . . 71.25 109.688 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -49.96 -42.19 48.24 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.815 1.246 . . . . 73.11 112.752 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -77.6 -54.06 6.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.201 1.0 . . . . 73.44 109.352 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -47.65 -47.91 29.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.049 1.739 . . . . 63.33 111.725 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -50.79 -38.16 46.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.067 1.347 . . . . 70.21 111.938 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 97' ' ' ILE . 35.0 p -62.65 -41.33 98.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.02 0.827 . . . . 70.24 110.972 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.8 m -65.1 -37.8 88.64 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.282 -0.886 . . . . 64.31 109.749 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -62.35 -28.5 69.8 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.941 0.896 . . . . 63.21 111.356 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.505 HD13 HD23 ' A' ' 77' ' ' LEU . 10.6 mt -77.7 -45.91 27.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 107.075 -1.454 . . . . 74.4 107.075 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -52.86 -40.93 63.82 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 124.406 1.083 . . . . 52.1 111.522 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 m -76.48 -32.2 58.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.768 0.427 . . . . 73.33 111.108 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.34 -34.41 65.62 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.229 -0.919 . . . . 61.44 109.56 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.5 -50.31 74.4 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.993 2.117 . . . . 74.41 111.198 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 p -59.11 -48.05 83.02 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.919 -0.4 . . . . 71.44 109.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -59.3 -44.44 92.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 119.113 -0.47 . . . . 74.4 110.067 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.53 86.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.63 0.772 . . . . 73.23 110.862 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -48.04 80.73 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.677 -0.861 . . . . 74.31 108.677 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.17 -37.21 86.65 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.683 -0.636 . . . . 74.42 111.55 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -68.92 -29.43 67.68 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 123.977 0.911 . . . . 73.43 111.789 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -90.06 -51.31 5.53 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 117.464 -1.255 . . . . 55.41 111.828 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.3 p -124.95 -22.79 4.4 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.199 1.926 . . . . 73.54 116.199 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.05 1.05 54.79 Favored Glycine 0 CA--C 1.525 0.704 0 CA-C-N 120.209 1.368 . . . . 62.01 115.472 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -114.75 140.36 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 119.424 1.612 . . . . 64.11 107.44 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -126.52 136.2 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 107.36 -1.348 . . . . 73.51 107.36 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -127.67 103.73 7.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.29 0.567 . . . . 71.11 109.517 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.06 -49.15 51.99 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 126.618 1.967 . . . . 75.53 113.245 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.04 -30.09 14.03 Favored 'Trans proline' 0 C--N 1.35 0.621 0 CA-C-N 121.98 1.743 . . . . 64.22 112.079 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.72 -42.78 90.66 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 107.325 -1.361 . . . . 75.43 107.325 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.88 -38.69 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.292 -1.003 . . . . 74.54 108.292 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.95 -54.25 46.99 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.088 0.955 . . . . 71.14 110.168 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -57.74 -33.82 68.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.075 0.852 . . . . 62.35 113.076 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 70' ' ' ASN . 12.6 mm -69.29 -52.73 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.459 -1.311 . . . . 73.53 107.459 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.59 HG21 ' HB2' ' A' ' 98' ' ' ALA . 41.2 p -61.38 -35.6 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 118.875 -0.583 . . . . 74.14 111.945 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.174 1.389 . . . . 72.23 109.402 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.77 -36.88 80.07 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.798 -0.62 . . . . 72.45 110.252 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.07 -51.83 35.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.942 0.792 . . . . 71.23 109.531 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 p -63.63 -32.29 73.72 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.881 -0.512 . . . . 65.43 111.685 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.68 -47.25 69.99 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.778 1.231 . . . . 74.55 108.688 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -67.19 -45.79 75.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.745 0.702 . . . . 71.43 110.574 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.45 65.42 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.668 1.187 . . . . 52.23 111.841 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.0 -21.12 47.48 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.65 -0.656 . . . . 73.54 111.378 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 66.65 -3.71 0.85 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.39 3.476 . . . . 63.5 115.533 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -144.09 -52.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 CA-C-N 120.698 1.59 . . . . 62.14 114.125 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.2 tpt -70.18 105.89 3.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.064 1.346 . . . . 74.32 112.84 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -83.65 -47.91 10.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.06 0.544 . . . . 65.01 110.51 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -52.71 100.03 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.169 1.788 . . . . 71.31 114.778 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 54.9 t -140.07 168.47 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 126.165 1.786 . . . . 53.51 108.728 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.2 m -130.33 175.4 8.98 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.592 1.957 . . . . 54.44 110.677 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.404 1.882 . . . . 73.31 108.717 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.153 -0.779 . . . . 63.35 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -70.49 153.29 43.1 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 123.507 0.723 . . . . 54.23 109.847 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.5 158.05 17.15 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 125.508 1.528 . . . . 74.54 113.133 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -44.8 125.39 4.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.211 2.604 . . . . 71.14 112.183 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -61.33 -61.5 2.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.463 1.505 . . . . 63.21 112.039 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -58.7 92.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.978 1.311 . . . . 72.3 111.708 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 p -145.67 157.97 43.9 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.519 1.128 . . . . 64.2 111.779 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 162.44 74.12 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.913 1.285 . . . . 75.55 109.765 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.32 -38.79 8.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 N-CA-C 109.407 -1.036 . . . . 72.34 109.407 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -64.25 -23.02 67.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.257 1.423 . . . . 71.13 112.013 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.85 -0.02 55.98 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.136 0.88 . . . . 73.51 112.548 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.37 126.08 23.44 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 120.494 1.497 . . . . 70.02 108.213 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.82 -46.86 5.86 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.611 2.208 . . . . 74.32 112.57 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.19 90.95 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.666 1.121 . . . . 63.4 111.391 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -49.49 35.07 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.259 -1.015 . . . . 74.53 108.259 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.47 78.74 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.188 0.995 . . . . 65.3 110.436 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.82 -42.37 97.68 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.121 -1.066 . . . . 74.4 108.121 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -68.17 -31.8 71.6 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.704 -0.622 . . . . 73.31 110.115 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.65 -48.84 73.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.809 -1.182 . . . . 74.55 107.809 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.3 -52.32 64.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.212 1.405 . . . . 75.35 109.124 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.09 -52.02 64.55 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.153 0.981 . . . . 74.21 111.321 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -47.87 84.38 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.397 0.544 . . . . 75.22 110.517 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.18 -54.11 50.68 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.185 -0.436 . . . . 72.11 110.596 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.76 -52.32 63.67 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 117.786 -1.102 . . . . 72.21 112.548 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -59.88 -30.4 68.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.31 0.959 . . . . 74.22 110.845 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.7 -42.94 24.91 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.472 -1.851 . . . . 32.01 108.472 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -40.79 81.46 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.529 1.531 . . . . 63.12 109.969 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -15.9 8.84 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 118.775 0.716 . . . . 71.43 112.645 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.0 m -111.49 -3.66 15.09 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.775 1.23 . . . . 53.15 112.276 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.6 mmm -97.11 154.84 38.02 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 125.045 1.338 . . . . 73.4 109.239 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.59 106.89 2.34 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.466 2.777 . . . . 75.42 109.111 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.05 -99.64 0.16 Allowed Glycine 0 C--N 1.331 0.285 0 N-CA-C 109.832 -1.307 . . . . 63.04 109.832 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HE1' HD11 ' A' ' 97' ' ' ILE . 21.4 m-85 -73.15 145.48 46.33 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.3 1.05 . . . . 63.32 108.772 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 p -99.59 169.78 9.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.142 1.377 . . . . 72.55 108.074 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.89 69.11 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.787 1.176 . . . . 73.5 110.591 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -51.88 -49.6 62.65 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.482 1.513 . . . . 50.42 108.804 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -76.79 -33.21 58.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.906 0.882 . . . . 72.4 111.745 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.07 -29.35 70.74 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.867 1.667 . . . . 62.45 110.347 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -69.09 -23.58 64.03 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.107 -0.701 . . . . 73.12 109.107 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.87 -45.33 17.0 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.572 -1.27 . . . . 74.12 107.572 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -30.89 66.07 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.696 0.798 . . . . 70.52 110.323 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -50.18 -54.76 18.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.128 1.771 . . . . 74.22 110.616 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -66.93 -38.43 86.17 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.513 0.725 . . . . 72.12 111.219 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.8 mt -58.68 -51.1 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 107.973 -1.121 . . . . 73.5 107.973 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.25 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.074 0.949 . . . . 73.34 111.045 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -58.86 -39.4 81.22 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.613 0.765 . . . . 73.33 111.498 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -61.06 -44.13 97.84 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.479 0.712 . . . . 52.42 110.906 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.54 -42.32 95.81 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 121.912 -0.492 . . . . 63.12 110.289 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.86 -39.28 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 119.224 0.92 . . . . 73.42 109.243 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.46 -42.16 63.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.365 1.466 . . . . 73.33 110.429 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -69.83 -50.27 44.45 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.952 0.901 . . . . 32.31 110.384 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.0 mt -57.04 -37.19 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 118.146 -0.931 . . . . 70.33 111.09 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -59.23 -32.29 69.83 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.091 1.314 . . . . 61.43 112.61 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -64.96 -54.69 26.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.382 -1.34 . . . . 61.42 107.382 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.5 -31.46 72.62 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.252 -0.905 . . . . 73.34 110.649 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.47 89.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.927 0.891 . . . . 62.3 109.183 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.6 -26.01 67.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.336 0.516 . . . . 71.41 110.095 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -92.56 -20.18 21.18 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.312 1.045 . . . . 73.53 111.441 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 21.54 79.73 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.305 0.955 . . . . 41.15 114.245 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -160.52 148.48 16.29 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 119.969 1.884 . . . . 73.52 109.207 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 m -141.37 129.84 22.55 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.582 -0.895 . . . . 53.42 108.582 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -73.6 151.91 89.39 Favored Pre-proline 0 CA--C 1.537 0.47 0 N-CA-C 109.27 -0.641 . . . . 75.23 109.27 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -64.77 -47.88 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 72.04 115.083 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.749 1.158 . . . . 72.43 109.55 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -58.91 -50.6 73.42 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.935 -1.03 . . . . 65.11 110.232 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.81 -48.46 81.2 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.65 1.18 . . . . 71.21 111.168 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -53.46 -31.79 47.16 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.056 1.742 . . . . 74.45 111.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.24 71.2 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.677 -0.639 . . . . 72.12 111.611 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -70.38 -39.51 74.5 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 109.008 -0.738 . . . . 73.2 109.008 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -57.28 -53.06 62.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.679 1.191 . . . . 73.35 110.238 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 ptp -67.33 -42.01 84.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.754 0.822 . . . . 72.52 111.076 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.27 97.46 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.856 0.753 . . . . 61.3 110.109 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -57.83 -48.72 78.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.662 -0.866 . . . . 74.14 108.662 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.18 90.14 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.219 0.607 . . . . 54.22 111.031 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -60.55 -55.57 31.78 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.178 1.391 . . . . 60.35 108.454 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.2 m -66.43 -23.99 66.38 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.89 -1.131 . . . . 75.31 111.215 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 97' ' ' ILE . 0.6 OUTLIER -63.79 -38.09 89.79 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.142 -0.974 . . . . 55.21 108.546 178.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.16 77.91 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 124.465 1.106 . . . . 74.52 110.2 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.64 -53.85 53.73 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.754 -0.832 . . . . 74.54 108.754 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -75.24 -22.55 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.337 0.589 . . . . 73.12 110.791 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.506 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . -70.98 -29.4 65.37 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 119.413 -2.055 . . . . 75.24 107.72 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.69 -14.84 57.79 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 117.638 -1.172 . . . . 71.2 112.368 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 p -101.19 154.98 18.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 120.506 1.503 . . . . 63.52 108.24 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 28.9 60.63 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 128.545 2.738 . . . . 73.34 109.237 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -64.59 142.07 58.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.756 -0.59 . . . . 65.13 110.717 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.44 174.46 50.23 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 124.216 0.912 . . . . 62.34 112.365 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.22 96.6 0.17 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.569 1.557 . . . . 44.22 111.077 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 153.41 -106.06 0.29 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.109 -1.597 . . . . 60.13 109.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.4 t -163.62 165.07 23.8 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.39 -0.967 . . . . 64.31 108.39 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.85 -27.12 59.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.103 1.361 . . . . 61.31 108.698 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.6 p -61.34 -42.13 98.19 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.084 1.753 . . . . 60.31 109.925 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -68.04 -44.72 75.8 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.826 1.251 . . . . 61.44 108.138 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 81' ' ' ALA . 2.7 ttpt -58.29 -54.77 43.27 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.88 -1.156 . . . . 63.41 107.88 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 97' ' ' ILE . 7.5 p -57.11 -50.31 73.19 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.643 1.177 . . . . 64.23 112.458 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -62.14 -32.22 72.79 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.382 0.992 . . . . 65.52 112.034 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.8 p -70.33 -31.12 68.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.024 0.829 . . . . 61.01 113.183 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.1 mt -57.77 -48.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 C-N-CA 124.963 1.305 . . . . 65.54 108.141 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -54.93 -43.18 73.11 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.32 0.509 . . . . 72.25 110.594 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -67.4 -38.69 85.06 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.354 -0.385 . . . . 54.41 110.199 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.29 -32.43 68.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.709 1.14 . . . . 73.03 109.928 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.21 -42.54 79.67 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 125.546 1.538 . . . . 71.2 108.835 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -52.81 -46.04 67.5 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.626 1.17 . . . . 65.11 108.549 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.33 -43.64 66.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.154 0.582 . . . . 75.45 111.516 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.48 -36.12 73.25 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 119.024 -0.512 . . . . 72.13 111.425 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.99 -33.52 73.37 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.775 1.23 . . . . 74.12 111.105 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.04 -34.4 66.29 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.036 0.535 . . . . 61.1 110.077 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -77.56 -22.18 51.4 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.558 0.617 . . . . 73.52 110.717 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -89.75 -54.16 4.18 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.34 0.973 . . . . 40.05 111.846 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.9 p -124.85 -1.99 7.82 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 116.354 1.983 . . . . 62.13 116.354 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.04 -2.39 65.4 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 119.833 1.197 . . . . 74.53 115.583 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 m -135.27 148.54 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 118.97 1.385 . . . . 72.43 108.733 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.75 146.12 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.749 1.219 . . . . 73.25 111.483 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -122.63 106.37 10.92 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.209 1.804 . . . . 73.44 108.331 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -53.52 -49.54 88.04 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 116.992 -1.48 . . . . 64.53 113.218 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.28 -28.67 47.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 CA-C-N 122.473 1.919 . . . . 43.11 111.724 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -65.43 -34.03 77.33 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.132 -1.062 . . . . 74.41 108.132 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 92.4 mt -76.13 -37.01 32.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.813 -1.179 . . . . 74.44 108.248 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.46 -51.3 70.05 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.111 1.365 . . . . 74.01 111.948 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.97 -32.6 69.79 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.242 0.617 . . . . 72.03 110.59 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 15.1 mm -74.21 -51.08 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 125.462 1.505 . . . . 74.02 108.431 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 98' ' ' ALA . 6.7 p -63.1 -39.19 93.99 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 119.367 0.985 . . . . 72.42 112.929 -178.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.1 -33.86 65.48 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.98 0.809 . . . . 62.25 112.374 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.61 -38.89 87.92 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.787 -0.625 . . . . 71.05 109.896 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.57 -51.69 70.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 118.742 0.701 . . . . 71.35 110.896 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 p -65.46 -44.47 87.08 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 118.82 -0.61 . . . . 72.31 110.233 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.3 ttp -57.66 -41.95 82.53 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.404 0.547 . . . . 62.54 110.471 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -69.22 -51.1 41.18 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.098 0.408 . . . . 74.14 110.304 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.95 -23.16 67.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 113.956 1.095 . . . . 70.32 113.956 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.3 -50.42 5.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.643 0.777 . . . . 75.41 110.706 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.8 88.8 1.63 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.116 0.871 . . . . 73.24 110.258 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.85 68.1 3.29 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 108.683 -1.767 . . . . 52.51 108.683 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.4 mmt 53.02 46.24 27.17 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.419 1.888 . . . . 73.31 110.854 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.6 -53.35 19.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.078 1.751 . . . . 72.33 112.132 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -71.43 146.25 48.79 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 125.167 1.387 . . . . 73.33 109.925 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -141.42 162.49 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 124.592 1.157 . . . . 73.15 108.676 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 t -162.11 -173.91 3.86 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.373 -0.973 . . . . 75.05 108.373 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 127.539 2.336 . . . . 71.43 106.969 179.282 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.931 0 N-CA-C 111.0 -0.84 . . . . 34.41 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -140.59 175.33 9.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.49 1.116 . . . . 71.15 110.034 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -174.05 16.13 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.648 1.118 . . . . 64.32 110.803 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -151.7 101.76 2.8 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.358 1.063 . . . . 65.43 108.607 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -57.36 -36.03 70.69 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.263 1.025 . . . . 64.5 112.366 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 42.99 12.01 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.324 3.05 . . . . 74.42 116.804 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 t -74.04 156.5 37.43 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.268 1.427 . . . . 72.31 110.369 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.1 146.31 81.96 Favored Pre-proline 0 CA--C 1.537 0.449 0 C-N-CA 125.321 1.449 . . . . 70.35 108.384 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.4 -36.69 76.84 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.87 1.714 . . . . 54.52 110.784 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -59.82 -20.41 56.77 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.618 2.367 . . . . 62.22 112.361 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.8 p -67.94 -26.81 66.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.422 -0.911 . . . . 61.11 111.514 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -120.65 129.29 25.39 Favored Pre-proline 0 CA--C 1.519 -0.248 0 CA-C-O 118.378 -0.82 . . . . 72.44 109.387 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.04 -36.85 46.18 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 121.407 1.405 . . . . 62.44 110.661 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.69 -25.48 74.01 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 119.855 -0.414 . . . . 71.02 112.834 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.04 -36.95 14.61 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 108.35 -0.981 . . . . 75.32 108.35 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.51 78.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.685 1.194 . . . . 74.34 109.878 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.54 -36.91 77.06 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.684 0.675 . . . . 71.33 111.419 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -71.82 -51.38 22.81 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.993 0.917 . . . . 62.12 109.116 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.02 -44.73 74.87 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.628 1.571 . . . . 75.42 110.633 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -66.39 -49.52 66.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.298 1.039 . . . . 75.04 108.966 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -59.43 -52.09 67.11 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.057 -0.497 . . . . 73.35 110.623 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -30.72 65.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.442 1.019 . . . . 60.14 112.651 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.43 -54.07 16.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.631 -1.248 . . . . 64.22 107.631 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.8 mt -55.86 -45.72 78.41 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.405 1.482 . . . . 73.11 111.117 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -50.78 -47.4 59.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 126.092 1.757 . . . . 63.44 111.057 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.23 -34.19 18.11 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 118.959 0.8 . . . . 74.02 112.273 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.99 -29.06 64.97 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.178 0.991 . . . . 61.44 110.984 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -49.74 -39.17 36.62 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.184 1.794 . . . . 63.13 115.238 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -99.61 -5.5 28.92 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.324 1.05 . . . . 64.23 111.837 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 88.4 mmm -73.6 154.36 89.58 Favored Pre-proline 0 N--CA 1.449 -0.476 0 O-C-N 120.936 -1.102 . . . . 74.25 109.924 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.52 19.74 0.53 Allowed 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.332 2.688 . . . . 74.41 113.922 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.03 -72.7 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 124.793 1.187 . . . . 42.11 112.549 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -110.43 129.65 55.72 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 107.665 -1.235 . . . . 70.22 107.665 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -87.64 172.76 9.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.337 0.655 . . . . 74.03 110.418 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.44 -45.71 56.12 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 114.066 1.135 . . . . 73.32 114.066 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -35.92 81.95 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 117.992 0.36 . . . . 72.51 110.573 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.18 -35.5 61.57 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.658 -0.651 . . . . 74.53 109.549 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.55 -36.58 81.0 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.724 1.21 . . . . 73.41 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.73 -49.45 77.69 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.666 0.604 . . . . 75.33 109.674 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.54 -45.92 88.33 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.349 -0.982 . . . . 64.33 108.349 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.44 -33.05 67.52 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.638 0.775 . . . . 74.41 111.904 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -68.62 -42.04 78.63 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 107.94 -1.133 . . . . 73.52 107.94 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.0 m -62.88 -50.93 68.95 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.752 -1.203 . . . . 72.25 107.752 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.1 mt -51.24 -48.88 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.987 1.315 . . . . 74.32 109.528 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.3 -49.52 75.83 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 123.951 0.9 . . . . 73.24 111.549 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -60.9 -29.74 69.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.724 0.41 . . . . 75.24 111.908 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 m -65.07 -42.91 93.72 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.87 0.759 . . . . 70.32 108.987 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.508 -0.553 . . . . 70.2 109.508 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.86 -44.04 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 118.76 0.709 . . . . 72.12 109.984 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.71 -42.24 92.63 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.674 0.67 . . . . 73.43 109.825 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -62.24 -30.3 71.01 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.088 -1.008 . . . . 55.52 110.936 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.81 -48.5 33.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.58 -1.637 . . . . 73.1 106.58 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -51.42 -40.59 59.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.966 0.907 . . . . 74.53 111.17 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -52.84 -56.41 15.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.552 0.741 . . . . 75.34 112.193 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.37 -31.88 54.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.936 0.789 . . . . 73.51 111.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.82 -28.53 61.64 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.114 0.966 . . . . 72.12 111.079 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.29 59.05 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.115 1.366 . . . . 54.14 111.621 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -114.53 -20.85 10.58 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.443 1.897 . . . . 71.42 110.455 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.24 83.29 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.833 1.206 . . . . 54.4 113.1 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -116.45 84.0 2.05 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.059 1.344 . . . . 74.44 109.575 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 m -102.97 120.86 41.38 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.841 -1.541 . . . . 73.14 106.841 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 t -58.18 140.44 83.07 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.796 1.239 . . . . 72.23 108.902 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.96 -45.04 8.71 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.582 2.188 . . . . 72.0 110.84 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -59.23 -42.97 92.32 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.314 0.506 . . . . 44.23 110.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -65.9 -50.64 63.74 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 123.592 0.757 . . . . 62.54 110.23 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.98 -42.88 99.96 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.289 0.495 . . . . 64.43 110.589 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -64.86 -35.84 82.42 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.936 0.789 . . . . 62.54 109.083 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.94 68.88 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.109 -0.995 . . . . 62.23 109.834 178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.99 -26.55 68.63 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 118.462 -0.78 . . . . 73.32 109.037 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.38 -50.33 65.95 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 106.932 -1.507 . . . . 73.25 106.932 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -59.68 -48.17 82.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.407 -0.96 . . . . 63.42 108.407 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.26 76.16 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.979 0.912 . . . . 63.23 110.832 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.03 -61.36 2.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.849 1.26 . . . . 75.42 110.33 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.7 -28.41 65.76 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.994 0.917 . . . . 74.01 112.676 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -60.04 -45.14 93.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.834 -0.802 . . . . 73.54 108.834 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -37.54 86.9 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 121.542 -0.724 . . . . 45.11 110.402 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.55 -44.32 96.26 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 116.702 -1.618 . . . . 62.4 108.178 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.0 94.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.522 1.51 . . . . 43.21 110.581 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -57.65 -54.84 42.3 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.373 0.669 . . . . 74.33 111.244 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.1 mm -71.89 -34.72 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.801 0.841 . . . . 50.11 110.087 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.75 92.89 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 120.896 -1.127 . . . . 51.55 111.03 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.08 3.1 21.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.835 0.71 . . . . 52.44 112.595 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 t -67.33 161.84 24.16 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.881 -1.155 . . . . 74.44 107.881 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.12 -39.8 69.79 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.817 1.247 . . . . 74.03 110.387 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -102.29 158.33 16.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 122.587 1.184 . . . . 63.5 112.64 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.95 -21.17 8.41 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 128.829 3.109 . . . . 71.55 106.694 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.62 -175.26 4.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 128.471 2.938 . . . . 73.03 115.501 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.48 172.21 8.87 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 113.274 -1.463 . . . . 73.12 112.157 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -66.42 147.05 53.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.356 -1.72 . . . . 41.21 106.356 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.09 -48.68 75.67 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.188 0.81 . . . . 70.41 113.188 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -68.66 -29.72 68.25 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.571 0.952 . . . . 75.3 113.571 -178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -59.81 -38.2 81.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 120.292 1.406 . . . . 74.44 111.098 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -56.43 -39.83 73.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.255 0.622 . . . . 73.21 110.848 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -54.34 -40.56 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.93 0.892 . . . . 75.23 109.739 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m -70.3 -46.76 63.63 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.106 0.962 . . . . 60.12 112.834 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.8 p -60.5 -29.92 69.39 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.715 -0.616 . . . . 52.43 112.065 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.5 mt -66.94 -44.07 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 73.4 108.485 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.19 79.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.571 1.078 . . . . 74.34 109.957 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.2 m -65.85 -44.41 85.56 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.672 -0.862 . . . . 74.25 108.672 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.77 89.62 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.637 -0.664 . . . . 64.54 110.913 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.52 -39.45 93.6 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.714 1.205 . . . . 64.13 109.456 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -54.39 -50.03 68.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.849 0.46 . . . . 75.13 110.382 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.41 -39.69 94.34 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.227 -0.589 . . . . 71.32 110.813 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.23 85.45 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.144 0.578 . . . . 63.43 110.447 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.51 -38.34 89.56 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.953 0.901 . . . . 74.31 111.089 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.3 mt -69.76 -37.15 76.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.263 -0.643 . . . . 74.14 109.263 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.16 -37.43 85.63 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.889 0.768 . . . . 73.33 110.284 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.2 p -76.58 -59.55 2.72 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.501 1.046 . . . . 71.43 112.525 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.1 p -120.12 -4.25 10.05 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 115.692 1.738 . . . . 74.3 115.692 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.89 88.46 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 120.499 1.5 . . . . 62.5 111.981 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 t -115.24 133.59 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 N-CA-C 106.784 -1.562 . . . . 71.03 106.784 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.55 136.43 60.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 106.495 -1.669 . . . . 52.44 106.495 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -128.89 112.95 14.65 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.501 0.72 . . . . 72.25 111.543 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -47.19 -59.81 4.88 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 126.12 1.768 . . . . 75.52 112.534 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.54 -37.92 20.84 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.397 2.064 . . . . 74.01 112.898 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.36 -38.39 77.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.61 0.764 . . . . 71.01 110.254 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.6 mt -77.21 -41.05 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.29 1.036 . . . . 75.12 109.579 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.63 -49.88 75.89 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.785 1.234 . . . . 73.01 112.683 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.84 -32.03 51.46 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.795 0.725 . . . . 63.33 112.14 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.32 -41.8 43.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 124.417 1.087 . . . . 73.2 109.11 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.1 p -72.6 -31.67 65.37 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.333 -0.855 . . . . 74.15 110.89 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -59.4 -48.48 81.48 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.671 -1.233 . . . . 75.14 107.671 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 28.3 mt -53.51 -35.17 60.35 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.061 0.944 . . . . 40.14 111.419 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.9 -51.78 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 119.814 1.188 . . . . 75.24 109.046 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.4 p -58.43 -38.29 77.15 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.647 0.737 . . . . 73.24 112.123 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ttp -73.87 -37.19 64.82 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.41 1.484 . . . . 70.33 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -74.62 -41.3 60.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.565 1.075 . . . . 52.23 111.064 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.86 -20.83 25.08 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.265 1.209 . . . . 64.34 114.265 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -97.2 -34.77 10.99 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.377 -0.827 . . . . 72.4 111.192 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -152.68 120.02 5.93 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.781 1.232 . . . . 60.1 110.381 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -93.0 24.97 22.19 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.675 -1.07 . . . . 43.35 111.495 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.9 ttm -63.16 148.72 47.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.472 1.636 . . . . 72.42 109.983 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -137.24 78.64 1.7 Allowed 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.11 -1.441 . . . . 72.32 107.11 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 157.83 7.32 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.389 1.875 . . . . 63.13 107.949 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.47 140.0 9.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 O-C-N 120.686 -1.259 . . . . 70.31 110.982 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.0 p -77.6 165.38 24.36 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.108 1.363 . . . . 73.24 110.936 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 C-N-CA 125.932 1.693 . . . . 73.21 108.027 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.513 0 N-CA-C 111.349 -0.7 . . . . 61.54 111.349 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -77.9 54.98 1.35 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.136 1.374 . . . . 42.14 109.564 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.02 170.0 26.15 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 126.394 1.949 . . . . 61.04 108.774 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -129.8 -63.0 0.94 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 107.773 -1.195 . . . . 72.1 107.773 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -108.98 -23.18 11.82 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.556 1.142 . . . . 63.21 111.023 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 63.27 5.33 1.95 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.431 1.892 . . . . 70.14 113.476 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -59.71 153.09 21.09 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 126.508 1.923 . . . . 70.0 112.608 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.39 157.93 34.01 Favored Pre-proline 0 C--O 1.238 0.469 0 C-N-CA 125.786 1.634 . . . . 64.14 112.089 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -62.23 -42.37 29.22 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.362 2.041 . . . . 73.31 108.73 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -59.16 -24.89 63.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.328 1.051 . . . . 73.34 111.802 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.62 -16.91 31.24 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.666 1.358 . . . . 61.15 114.666 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -126.65 129.33 24.11 Favored Pre-proline 0 N--CA 1.472 0.638 0 CA-C-N 119.711 1.141 . . . . 71.24 110.579 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.34 -49.09 5.01 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.133 1.889 . . . . 73.2 113.136 -178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -37.19 94.49 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-N 119.461 1.028 . . . . 51.45 111.832 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -47.42 79.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 107.35 -1.352 . . . . 64.44 107.35 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.76 96.52 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.114 -0.699 . . . . 50.3 109.114 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.16 -43.59 78.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.636 0.774 . . . . 74.52 110.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -66.35 -51.48 56.7 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 124.473 1.109 . . . . 55.35 109.635 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -54.7 -49.22 71.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.4 1.08 . . . . 74.23 110.265 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.2 mt -61.82 -47.64 84.17 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 125.202 1.401 . . . . 74.34 108.532 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -56.31 -51.77 67.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.897 1.226 . . . . 72.41 110.169 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -58.93 -47.3 85.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.931 0.892 . . . . 71.43 110.686 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.37 -47.66 75.61 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.89 -0.506 . . . . 74.21 111.381 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.53 -52.18 66.65 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.183 1.393 . . . . 75.24 111.117 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -63.3 -44.52 94.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 122.029 0.919 . . . . 70.34 111.373 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.54 72.27 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 114.426 -1.261 . . . . 35.34 110.576 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 38' ' ' LEU . 12.7 tp -63.49 -33.73 76.22 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.2 1.0 . . . . 51.42 108.959 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -26.34 66.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 119.153 0.888 . . . . 64.22 111.762 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -94.0 -18.51 21.81 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.471 0.708 . . . . 73.55 110.908 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 76.0 mmm -72.98 157.82 88.07 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 108.089 -1.078 . . . . 74.41 108.089 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -72.19 -8.39 22.7 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.389 2.726 . . . . 74.12 117.561 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.22 -84.8 0.19 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.296 0.951 . . . . 44.03 112.215 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HE2' ' A' ' 93' ' ' LYS . 10.5 m-85 -85.5 169.78 13.27 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 106.995 -1.483 . . . . 51.34 106.995 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 p -127.89 168.09 15.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.096 -1.075 . . . . 71.51 108.096 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.34 10.41 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.08 1.352 . . . . 71.43 113.486 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 m -67.51 -56.14 10.73 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.32 1.048 . . . . 51.22 108.807 178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -65.94 -36.07 82.35 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 122.054 -0.404 . . . . 74.25 109.948 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 27' ' ' LEU . 2.9 mm? -63.75 -24.64 67.85 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 118.489 0.586 . . . . 63.05 111.068 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -70.38 -43.69 69.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.784 0.72 . . . . 74.03 109.83 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -65.32 -45.83 82.71 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.736 -1.209 . . . . 73.02 107.736 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.74 -29.98 65.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.887 1.275 . . . . 70.05 111.092 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -48.27 82.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.472 1.509 . . . . 63.43 109.653 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -36.44 83.91 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.344 -0.847 . . . . 75.42 109.721 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.26 -48.4 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 107.877 -1.157 . . . . 63.24 107.877 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.21 -46.69 75.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.959 1.304 . . . . 74.52 109.112 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.15 -43.43 82.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.676 1.19 . . . . 65.13 110.417 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -39.5 80.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.481 1.512 . . . . 63.21 110.129 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.32 -45.83 78.98 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.053 -1.029 . . . . 73.5 108.669 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -43.03 86.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.015 -0.735 . . . . 73.33 109.015 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.1 -36.24 76.98 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.792 0.837 . . . . 75.44 109.861 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -71.24 -37.95 71.96 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.546 -0.721 . . . . 74.2 110.843 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.37 -48.2 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 121.076 -1.015 . . . . 74.11 109.592 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -61.32 -31.15 71.0 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.648 0.658 . . . . 72.33 110.975 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -63.24 -34.84 78.53 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.659 -0.497 . . . . 72.31 109.659 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.4 mt -76.71 -42.13 42.57 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 108.673 -0.862 . . . . 74.05 108.673 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.78 74.72 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.36 0.664 . . . . 73.43 109.705 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.27 -26.68 67.93 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.799 0.84 . . . . 52.24 111.492 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -95.64 -2.83 47.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.182 1.393 . . . . 74.52 111.649 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.77 15.23 73.5 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-O 117.94 -1.478 . . . . 62.44 114.406 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -162.18 162.32 28.34 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.96 1.88 . . . . 74.52 109.968 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.4 p -119.61 177.58 4.88 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.209 -1.404 . . . . 43.32 107.209 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -126.69 139.59 35.25 Favored Pre-proline 0 C--O 1.238 0.455 0 N-CA-C 103.832 -2.655 . . . . 73.12 103.832 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.53 -54.38 1.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.416 2.077 . . . . 74.3 109.969 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -60.2 -40.17 89.14 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 118.911 -0.566 . . . . 50.13 110.916 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -61.24 -50.87 71.33 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.914 0.779 . . . . 65.53 109.582 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.0 tp -61.11 -46.42 90.69 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.04 0.936 . . . . 63.12 109.466 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.26 -38.41 83.42 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 109.66 -0.496 . . . . 74.02 109.66 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.52 70.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 117.809 -1.091 . . . . 44.15 110.387 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.77 -41.74 62.01 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.001 -1.111 . . . . 63.04 108.001 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -58.03 -47.75 82.15 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.705 -1.22 . . . . 75.35 107.705 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 61.2 mtm -63.25 -46.46 86.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.353 0.661 . . . . 74.1 110.491 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.95 65.02 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.157 1.383 . . . . 62.44 112.587 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -71.66 -55.64 7.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.997 -0.742 . . . . 65.23 108.997 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.66 69.84 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.914 1.079 . . . . 64.03 113.914 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -64.39 -37.7 88.42 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 119.391 0.996 . . . . 75.32 111.26 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -66.33 -38.57 87.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.488 1.04 . . . . 45.4 110.542 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.44 -51.01 71.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.297 -1.001 . . . . 73.45 108.297 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.26 96.62 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.787 1.235 . . . . 73.04 112.206 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -55.85 -54.18 47.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.906 0.882 . . . . 63.4 109.84 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.4 mm -69.95 -38.06 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.578 1.151 . . . . 75.32 110.184 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.13 -47.12 72.22 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.373 1.069 . . . . 75.5 110.619 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.16 -30.8 38.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 113.814 1.042 . . . . 75.34 113.814 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 t -59.47 -43.87 93.14 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 116.067 1.877 . . . . 71.13 116.067 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -152.43 106.93 3.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 103.969 -2.604 . . . . 73.44 103.969 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -54.01 105.77 0.16 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 125.332 1.453 . . . . 75.34 109.751 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.15 90.64 1.31 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 107.734 -2.147 . . . . 50.55 107.734 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.77 0.55 4.02 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.255 1.407 . . . . 41.34 114.042 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.68 167.75 34.47 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.655 1.227 . . . . 71.35 111.736 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.5 m -66.98 177.27 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 127.934 2.494 . . . . 54.33 114.143 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.93 -45.37 60.51 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.549 1.139 . . . . 73.43 111.322 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -59.17 -35.2 73.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.927 1.291 . . . . 71.02 111.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.4 m -75.62 -43.88 45.73 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 4.8 tptm -50.33 -48.36 55.41 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.406 1.082 . . . . 74.32 113.049 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -55.76 -37.18 68.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.793 0.724 . . . . 53.21 112.278 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.3 t -62.27 -47.31 84.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.288 0.635 . . . . 73.13 110.276 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.79 68.5 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.464 1.029 . . . . 62.41 111.057 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mt -72.06 -53.07 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 108.657 -0.868 . . . . 73.42 108.657 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.95 -45.96 78.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.152 0.581 . . . . 74.53 110.702 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.1 m -68.37 -30.52 69.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.786 -0.626 . . . . 73.13 110.35 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.72 -39.34 61.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.247 1.385 . . . . 53.44 108.78 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.66 -37.78 79.67 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.704 1.201 . . . . 54.43 109.198 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 t -52.05 -57.06 10.64 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.265 1.426 . . . . 61.35 108.435 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -63.35 -38.69 92.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.564 0.746 . . . . 75.24 112.108 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.74 86.01 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.933 0.893 . . . . 71.23 113.327 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -65.02 -36.78 85.47 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 120.89 -1.131 . . . . 74.02 109.778 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.4 -31.76 72.49 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.299 -0.876 . . . . 64.51 110.977 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -80.79 -1.0 41.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.738 0.815 . . . . 54.02 112.754 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.3 p -119.38 -47.42 2.45 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 118.294 -0.86 . . . . 52.5 110.944 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -123.67 -8.77 7.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 119.815 1.189 . . . . 71.55 113.741 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.23 22.25 76.49 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 117.937 -1.479 . . . . 73.21 112.786 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.78 153.28 19.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 120.129 1.964 . . . . 63.44 110.759 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.52 124.92 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 106.675 -1.602 . . . . 75.33 106.675 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -122.64 111.44 16.76 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.752 0.821 . . . . 70.1 108.92 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -49.94 -55.1 26.23 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 116.859 -1.543 . . . . 74.22 113.817 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.87 -33.65 51.89 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 121.882 1.721 . . . . 63.22 112.477 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -63.77 -39.51 94.45 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.394 0.677 . . . . 74.1 110.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 84.2 mt -75.66 -41.79 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 107.117 -1.438 . . . . 75.24 107.117 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -56.89 -35.46 69.0 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 114.02 1.118 . . . . 74.25 114.02 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.47 -32.23 72.92 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.75 -1.219 . . . . 74.11 111.101 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.2 mm -76.48 -45.96 32.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.65 -1.241 . . . . 64.42 107.65 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.517 HG21 ' HB2' ' A' ' 98' ' ' ALA . 76.5 p -62.59 -35.84 80.83 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 118.402 -0.809 . . . . 72.44 111.442 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -57.93 -38.34 75.75 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.789 0.836 . . . . 74.11 111.864 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -34.62 78.13 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-O 119.023 -0.513 . . . . 73.32 110.773 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.25 -52.06 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 118.839 0.745 . . . . 75.45 109.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -52.48 65.58 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.211 0.605 . . . . 60.02 110.352 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 59.2 ttp -54.83 -40.4 69.56 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.488 1.115 . . . . 71.42 112.268 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -75.36 -38.37 60.12 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.349 -0.357 . . . . 71.35 111.468 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.42 63.89 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.04 0.756 . . . . 65.44 113.04 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -68.06 -21.44 64.99 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.483 0.92 . . . . 54.42 113.483 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 59.77 7.18 1.02 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.549 2.74 . . . . 73.14 114.571 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.04 -90.35 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 110.879 -0.888 . . . . 73.23 110.879 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.7 mtt -127.27 148.55 50.22 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 118.029 0.915 . . . . 74.34 111.048 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -154.38 169.52 23.51 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.319 1.848 . . . . 65.31 108.306 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.53 163.14 27.5 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.035 0.534 . . . . 61.23 110.687 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.6 144.39 11.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 O-C-N 121.271 -0.893 . . . . 61.04 109.86 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.5 p -148.89 124.9 10.66 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.258 1.423 . . . . 74.43 111.723 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 N-CA-C 107.269 -1.382 . . . . 73.4 107.269 178.025 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 107.766 -2.133 . . . . 61.02 107.766 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -156.34 156.78 34.54 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.995 2.118 . . . . 71.54 105.86 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.9 178.59 39.46 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.507 -1.037 . . . . 71.44 110.507 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -142.9 -47.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 124.902 1.281 . . . . 60.11 108.251 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -61.49 -24.81 66.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.24 1.016 . . . . 72.31 111.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -112.43 97.03 6.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.496 2.318 . . . . 74.33 105.458 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -59.94 152.89 22.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.317 1.047 . . . . 75.33 111.451 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -126.46 156.15 73.33 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 125.113 1.365 . . . . 73.41 109.797 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.14 -37.21 53.4 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 N-CA-C 108.884 -1.237 . . . . 53.45 108.884 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -70.43 -17.4 63.0 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 117.945 -1.026 . . . . 73.51 112.926 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -92.99 -20.95 20.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.94 1.245 . . . . 65.05 111.937 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -139.77 121.68 9.88 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 123.778 0.831 . . . . 72.22 111.608 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.79 -31.84 57.2 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.619 2.88 . . . . 64.42 114.441 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.15 -32.35 83.88 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.525 1.511 . . . . 63.44 110.847 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -73.37 -49.79 25.38 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.877 -1.527 . . . . 74.22 106.877 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.35 70.81 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 118.675 -0.678 . . . . 71.35 111.01 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -52.92 -44.94 67.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.877 1.271 . . . . 71.51 111.247 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.63 -47.21 67.21 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 122.05 -0.406 . . . . 71.12 111.17 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -58.67 -48.96 79.31 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.013 0.925 . . . . 75.31 110.087 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.05 -49.33 78.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.826 1.65 . . . . 71.22 108.996 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -58.75 -51.82 68.33 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.389 0.54 . . . . 65.23 110.629 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -60.2 -37.6 80.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.455 0.702 . . . . 73.22 110.785 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.33 -54.26 31.55 Favored 'General case' 0 C--O 1.228 -0.061 0 N-CA-C 109.014 -0.735 . . . . 72.04 109.014 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.95 -43.02 77.07 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.298 1.039 . . . . 63.11 110.481 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -55.82 -49.46 73.19 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.701 1.2 . . . . 73.42 110.706 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.44 -49.69 18.76 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-O 119.091 -0.838 . . . . 72.23 112.248 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.42 -38.31 58.81 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.01 1.724 . . . . 61.22 110.23 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -60.26 -17.56 42.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.778 1.172 . . . . 74.24 112.679 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -111.29 -3.88 15.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.314 1.445 . . . . 61.54 112.666 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtp -90.19 160.58 39.76 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 123.965 0.906 . . . . 62.54 109.631 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.56 2.71 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.777 2.985 . . . . 74.13 116.035 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.81 -87.06 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.93 -1.106 . . . . 55.13 110.873 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HE1' HD11 ' A' ' 97' ' ' ILE . 10.4 m-85 -90.7 -175.26 4.34 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 123.67 0.788 . . . . 70.05 108.932 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.3 p -128.58 161.43 29.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.949 1.7 . . . . 60.42 107.15 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.33 -33.8 30.91 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.854 1.057 . . . . 72.03 113.854 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 p -58.12 -55.42 35.13 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.058 -1.09 . . . . 64.51 108.058 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.12 -33.16 73.94 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.324 1.05 . . . . 75.01 110.937 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -24.17 66.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 120.547 -1.346 . . . . 70.13 111.42 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.87 -45.27 64.73 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.999 -1.111 . . . . 64.11 107.999 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -42.5 91.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.036 0.922 . . . . 75.33 108.858 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.28 -30.11 68.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.506 -1.235 . . . . 64.0 111.189 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.0 t -61.02 -46.73 89.54 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.373 -1.343 . . . . 61.31 107.373 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.6 m -58.78 -52.63 64.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.235 -1.024 . . . . 72.34 108.235 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.4 mt -56.54 -50.01 75.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.554 1.141 . . . . 52.34 111.366 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.1 72.76 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.104 0.962 . . . . 72.21 109.863 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -64.22 -40.92 97.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 119.36 -0.352 . . . . 74.13 110.791 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.0 m -60.1 -23.82 64.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.937 0.79 . . . . 63.34 110.464 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.64 -49.61 9.01 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.761 1.224 . . . . 73.21 107.946 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.03 -40.69 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.702 1.137 . . . . 74.21 110.88 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -56.15 -35.49 67.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.24 0.616 . . . . 74.03 111.182 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -75.89 -38.81 57.45 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.809 -0.557 . . . . 74.23 110.387 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.42 -48.99 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 124.652 1.181 . . . . 73.31 110.758 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.75 -36.67 67.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.882 0.765 . . . . 71.54 111.59 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -65.61 -42.68 91.33 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 122.188 -0.32 . . . . 73.24 110.254 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.47 -31.61 70.0 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.175 -0.953 . . . . 74.4 109.174 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.21 77.27 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 120.701 -1.249 . . . . 71.52 109.733 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.66 90.6 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.908 -1.145 . . . . 55.44 107.908 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.33 -27.64 66.45 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 118.751 -0.642 . . . . 71.13 111.256 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.29 3.49 57.43 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.838 0.732 . . . . 40.31 113.332 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -136.67 157.28 47.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.663 1.985 . . . . 75.31 108.215 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.2 p -145.89 160.16 42.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.23 -1.396 . . . . 71.13 107.23 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -113.91 139.33 23.44 Favored Pre-proline 0 CA--C 1.536 0.423 0 N-CA-C 104.603 -2.369 . . . . 61.32 104.603 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -59.14 -48.74 12.97 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.441 2.094 . . . . 74.1 113.614 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -56.88 -58.39 8.34 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.052 0.76 . . . . 71.24 113.052 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -65.36 -30.21 71.02 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.882 -0.58 . . . . 60.53 112.559 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 tp -74.32 -37.74 63.5 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.18 0.9 . . . . 75.32 109.484 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -71.54 -34.19 69.81 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.801 0.84 . . . . 61.13 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.05 65.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.944 0.793 . . . . 34.03 110.985 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.03 -39.27 77.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.495 0.718 . . . . 71.11 110.273 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.98 -45.37 92.75 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.68 1.192 . . . . 52.04 110.348 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.4 ptp -72.45 -37.8 68.45 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.088 -0.958 . . . . 64.31 110.514 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.22 93.84 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.389 0.995 . . . . 74.33 108.708 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.57 -47.89 81.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.22 1.008 . . . . 75.4 108.97 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.63 88.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.521 0.328 . . . . 65.01 110.151 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -60.56 -44.69 95.87 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.883 0.873 . . . . 73.42 108.695 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -62.69 -40.08 96.0 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 119.485 1.038 . . . . 53.4 110.863 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.19 -36.73 84.6 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.396 -0.815 . . . . 54.23 109.256 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.27 63.44 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 123.987 0.915 . . . . 51.4 109.919 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -56.1 -53.25 59.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.653 1.581 . . . . 70.34 109.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.41 -38.72 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.356 -0.609 . . . . 54.25 109.356 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.09 68.32 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.215 -0.928 . . . . 73.25 112.095 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -19.45 54.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.238 0.926 . . . . 72.0 110.141 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.1 t -62.34 162.04 10.58 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.327 -0.99 . . . . 75.24 108.327 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.89 -32.56 74.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.498 0.719 . . . . 71.43 111.271 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -63.69 163.14 11.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.293 1.837 . . . . 70.15 111.558 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.48 -174.3 15.17 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 107.526 -2.23 . . . . 74.24 107.526 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 14.49 1.34 Allowed Glycine 0 CA--C 1.523 0.559 0 O-C-N 121.42 -1.047 . . . . 65.51 113.08 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.48 154.04 23.35 Favored Glycine 0 C--N 1.333 0.374 0 N-CA-C 109.973 -1.251 . . . . 33.4 109.973 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.8 m -50.91 143.5 10.04 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.677 0.791 . . . . 53.51 109.793 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.33 -46.11 76.38 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.558 0.743 . . . . 62.21 112.573 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -67.05 -50.54 61.59 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.658 0.663 . . . . 55.23 109.413 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.6 m -55.98 -35.17 66.46 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.015 0.926 . . . . 63.41 111.982 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -51.91 -43.53 63.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.843 1.257 . . . . 74.45 109.233 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' ' 97' ' ' ILE . 14.4 p -65.35 -31.39 72.49 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.447 1.021 . . . . 74.21 111.062 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -69.29 -39.58 78.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.978 1.311 . . . . 63.0 108.907 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 m -67.81 -32.8 73.6 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.822 0.737 . . . . 73.5 111.022 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' ' 94' ' ' THR . 20.4 mt -62.98 -45.4 98.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-O 118.534 -0.746 . . . . 75.13 109.871 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.85 -34.34 72.98 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.494 1.043 . . . . 64.23 110.87 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.2 m -71.79 -31.96 67.13 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.109 0.963 . . . . 72.43 110.426 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.31 -35.82 47.27 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.582 -0.698 . . . . 62.42 109.398 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.86 -45.17 87.2 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.779 1.232 . . . . 72.54 109.81 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -57.78 -49.0 78.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.371 -1.344 . . . . 73.55 107.371 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -57.35 -41.38 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.815 0.846 . . . . 73.02 111.458 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -50.91 64.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.102 0.961 . . . . 40.33 110.481 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -59.48 -33.25 71.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.75 0.705 . . . . 71.11 111.349 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 21.1 mt -67.73 -27.79 67.1 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.73 0.812 . . . . 71.53 111.565 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -86.54 -13.77 44.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.588 0.631 . . . . 75.53 112.462 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.5 p -102.93 -44.84 5.14 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.682 0.674 . . . . 74.14 110.13 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.8 p -125.76 -11.47 6.65 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 117.124 2.268 . . . . 32.4 117.124 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.73 19.27 79.19 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 121.094 1.77 . . . . 74.14 113.939 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 m -135.44 163.86 34.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 119.089 1.444 . . . . 63.33 109.613 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.5 t -125.83 128.1 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.903 1.281 . . . . 75.51 107.925 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -99.84 78.6 2.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.356 1.062 . . . . 51.23 108.236 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -46.73 -63.31 1.41 Allowed Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 117.533 2.42 . . . . 62.5 117.533 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.51 -36.7 32.9 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.261 1.974 . . . . 51.3 112.91 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -62.66 -38.33 89.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.228 1.011 . . . . 70.23 110.715 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 72.5 mt -75.99 -46.95 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.712 1.205 . . . . 61.52 108.516 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.27 -44.14 71.61 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.046 2.139 . . . . 54.32 113.426 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.3 -34.17 77.7 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.385 -0.822 . . . . 73.32 111.821 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.56 -42.91 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 107.5 -1.296 . . . . 75.34 107.5 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.6 p -65.58 -36.08 82.71 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.469 -0.892 . . . . 75.43 109.911 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -59.4 -42.8 92.6 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.983 -0.747 . . . . 54.55 108.983 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.38 -38.83 88.44 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.931 -1.033 . . . . 53.2 111.104 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.93 -51.46 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.34 -0.985 . . . . 61.45 108.34 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.9 m -57.02 -51.98 67.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.604 -0.517 . . . . 43.23 109.604 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -56.48 -41.86 77.31 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.826 1.65 . . . . 71.22 112.258 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.47 -51.56 62.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.394 -0.595 . . . . 75.31 109.394 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.16 -52.22 63.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 112.981 0.734 . . . . 62.25 112.981 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.04 -23.6 66.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.766 0.712 . . . . 71.3 112.883 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 45.43 70.53 0.35 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.644 3.178 . . . . 44.03 112.528 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -148.08 -10.45 0.17 Allowed Glycine 0 CA--C 1.532 1.113 0 CA-C-O 117.395 -1.78 . . . . 52.43 115.389 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 ttm 35.32 51.53 0.61 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.87 2.468 . . . . 71.23 113.446 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -134.87 162.9 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.276 1.43 . . . . 74.4 108.083 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -161.25 177.04 10.58 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 125.06 1.344 . . . . 72.03 108.219 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.25 133.53 22.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.134 -1.432 . . . . 70.12 107.134 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 t -71.91 173.74 7.91 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.582 1.182 . . . . 50.13 108.927 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 N-CA-C 103.801 -2.666 . . . . 63.22 103.801 176.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 109.378 -1.489 . . . . 65.14 109.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 m -139.43 150.93 45.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.297 1.049 . . . . 74.35 109.874 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.36 116.49 2.79 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 108.275 -1.93 . . . . 34.32 108.275 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -146.2 147.39 31.42 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.304 1.041 . . . . 54.41 109.252 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -110.26 -1.95 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 126.973 2.109 . . . . 74.11 112.673 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -126.66 145.09 50.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.852 1.206 . . . . 71.24 109.445 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -66.18 146.44 54.63 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.646 1.978 . . . . 75.44 110.695 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.12 163.55 56.97 Favored Pre-proline 0 N--CA 1.449 -0.499 0 C-N-CA 124.034 0.934 . . . . 72.24 109.729 178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.36 -18.35 44.23 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.32 1.347 . . . . 73.03 109.531 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -85.06 -24.78 27.98 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.842 1.257 . . . . 75.42 111.749 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 p -86.53 -25.48 25.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.399 1.454 . . . . 71.42 112.672 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -105.92 122.24 43.08 Favored Pre-proline 0 N--CA 1.47 0.575 0 CA-C-N 118.918 0.781 . . . . 73.44 109.226 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.53 -32.41 39.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.143 2.562 . . . . 45.4 113.829 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.95 99.93 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.353 -1.099 . . . . 73.12 110.353 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -48.78 55.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.587 -1.264 . . . . 74.35 107.587 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.1 -50.25 59.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.766 0.826 . . . . 73.14 112.56 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -47.85 75.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.52 0.728 . . . . 62.33 110.557 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -73.58 -34.62 65.19 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.35 0.5 . . . . 74.41 112.35 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.67 -52.08 54.45 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.309 1.444 . . . . 62.21 109.227 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.3 -42.56 98.86 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.236 -1.024 . . . . 60.21 108.236 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.88 -51.99 65.93 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.315 0.507 . . . . 74.54 111.85 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 p -60.4 -43.12 96.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.362 0.665 . . . . 71.22 110.467 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.54 -42.15 95.92 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 73.34 110.045 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -64.58 -51.6 61.94 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.405 -0.961 . . . . 72.2 108.405 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.53 -30.35 67.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.759 0.823 . . . . 61.51 112.621 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.37 -49.45 5.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.102 -1.199 . . . . 31.01 110.102 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.65 -26.46 67.81 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.878 0.839 . . . . 71.12 111.601 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -59.62 -19.29 48.09 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 120.255 1.389 . . . . 53.24 113.034 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -112.96 3.17 16.1 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.286 2.234 . . . . 73.42 112.983 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mmm -100.09 155.82 35.99 Favored Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 120.457 1.48 . . . . 72.2 112.437 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.24 93.79 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.595 2.864 . . . . 75.42 110.829 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.29 -86.17 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.196 0 N-CA-C 107.308 -2.317 . . . . 72.44 107.308 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.31 154.85 18.33 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.755 -1.572 . . . . 55.31 106.755 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.0 p -110.94 171.01 7.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.535 0.734 . . . . 73.21 109.099 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -40.11 41.25 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.327 1.051 . . . . 71.12 113.271 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -61.9 -44.84 95.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.578 0.751 . . . . 75.23 109.662 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -69.91 -39.15 76.35 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.328 -0.857 . . . . 71.33 109.896 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.9 -31.05 71.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.314 0.646 . . . . 73.32 109.528 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.05 -44.55 95.53 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.452 -0.944 . . . . 61.4 108.452 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -65.11 -40.35 94.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.469 1.908 . . . . 65.43 109.69 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.0 -29.93 65.67 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 117.678 -1.153 . . . . 75.43 113.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 t -51.8 -43.02 62.92 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.772 1.169 . . . . 63.12 109.682 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 m -63.82 -53.86 44.11 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 109.572 -0.529 . . . . 73.33 109.572 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.29 -51.04 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.293 1.837 . . . . 61.31 110.487 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.04 -49.68 76.06 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.519 1.128 . . . . 71.12 109.462 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -61.3 -34.6 75.5 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 118.134 -0.936 . . . . 62.42 111.911 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -61.59 -21.68 64.55 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.036 0.835 . . . . 74.33 111.406 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.12 -53.8 4.84 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.545 -0.909 . . . . 64.45 108.545 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.0 -32.53 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 118.444 0.566 . . . . 64.32 110.088 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -50.66 -47.61 58.62 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.059 1.343 . . . . 53.22 110.25 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 m -72.0 -47.42 52.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 118.726 -0.654 . . . . 42.5 109.819 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.7 mt -52.36 -42.32 37.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 119.002 0.819 . . . . 70.0 110.036 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.89 -48.61 65.57 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.02 1.328 . . . . 70.14 110.706 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 t -57.44 -41.29 80.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.349 1.459 . . . . 65.2 110.219 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.65 -31.45 57.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.593 1.157 . . . . 71.43 111.229 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.41 -29.14 70.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.066 0.848 . . . . 64.25 110.119 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.75 80.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.592 1.157 . . . . 74.25 109.883 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -88.72 -21.22 23.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.323 1.049 . . . . 74.01 111.526 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.12 12.95 76.21 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.827 1.203 . . . . 53.11 113.554 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -137.49 117.85 13.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.293 1.546 . . . . 63.31 111.184 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -125.24 99.69 6.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.167 2.187 . . . . 73.05 107.444 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -54.48 138.1 60.32 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.094 -1.447 . . . . 34.51 107.094 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.0 -29.71 87.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.672 1.581 . . . . 72.54 112.435 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.94 -42.6 99.29 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.675 0.671 . . . . 72.12 110.352 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -76.59 -34.74 58.4 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 121.7 -0.625 . . . . 73.33 110.091 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.92 -44.88 78.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.393 1.077 . . . . 62.24 109.174 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -52.48 -40.46 62.36 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.526 1.931 . . . . 73.33 111.201 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.57 -39.7 71.0 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 118.884 0.766 . . . . 73.32 113.054 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.27 -46.7 89.26 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 109.059 -0.719 . . . . 74.33 109.059 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -38.67 91.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.007 -0.52 . . . . 72.52 111.145 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.62 -49.85 69.47 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.642 -0.873 . . . . 72.22 108.642 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.71 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.896 -0.502 . . . . 71.11 110.591 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.82 -49.34 76.99 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 125.688 1.595 . . . . 71.41 110.31 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 -36.77 68.98 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.552 0.575 . . . . 62.41 112.552 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -60.42 -48.63 80.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.298 1.039 . . . . 74.3 112.028 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.2 m -66.96 -26.49 66.85 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 121.261 -0.899 . . . . 64.4 112.141 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.44 -52.4 61.66 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 107.615 -1.254 . . . . 70.4 107.615 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.98 82.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.663 1.185 . . . . 71.43 111.665 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.93 -54.22 49.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.256 0.622 . . . . 73.52 110.453 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mm -69.07 -37.68 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 109.209 -0.663 . . . . 75.22 109.209 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.31 77.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.905 0.882 . . . . 75.43 110.584 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.42 -18.65 58.71 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.255 1.022 . . . . 75.02 111.764 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -78.44 -16.71 57.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.588 -0.893 . . . . 65.32 108.588 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 64.98 3.24 2.04 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 129.353 3.061 . . . . 73.2 114.337 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -71.55 110.63 6.25 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.21 -1.404 . . . . 73.24 107.21 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.4 -11.32 4.08 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.456 1.026 . . . . 44.43 113.267 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.87 171.32 39.92 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 118.75 1.275 . . . . 71.5 113.376 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.89 172.13 38.57 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 109.997 -1.241 . . . . 51.3 109.997 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.9 m -88.18 168.65 12.57 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.961 -1.317 . . . . 64.42 110.198 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD21 ' HB1' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -56.35 -39.03 72.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.857 0.863 . . . . 75.51 109.324 178.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 p -67.98 -43.11 79.7 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 125.427 1.491 . . . . 64.14 110.151 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.7 m -59.02 -43.94 91.64 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.524 -1.287 . . . . 74.14 107.524 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -56.22 -55.68 30.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.362 1.465 . . . . 53.51 108.811 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -59.55 -42.85 93.34 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 119.447 1.021 . . . . 74.41 111.332 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.7 t -60.2 -44.24 95.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.694 0.798 . . . . 42.35 109.888 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.1 p -58.87 -39.09 80.34 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 118.894 0.77 . . . . 53.31 111.939 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.64 -52.38 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.819 -1.178 . . . . 74.43 107.819 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.84 -40.87 81.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.735 0.243 . . . . 72.05 110.784 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 m -64.94 -44.63 88.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.916 0.487 . . . . 74.25 111.049 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.13 78.84 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.934 0.494 . . . . 44.32 110.315 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.63 -48.44 80.85 Favored 'General case' 0 CA--C 1.516 -0.327 0 C-N-CA 123.939 0.896 . . . . 55.3 109.896 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.9 p -64.05 -41.31 97.42 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.481 -0.888 . . . . 41.15 110.622 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -62.71 -45.85 90.82 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.488 0.585 . . . . 71.53 109.742 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.35 93.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.084 1.354 . . . . 64.53 110.638 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -71.17 -31.64 67.91 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.018 -1.051 . . . . 73.32 112.716 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -45.92 92.06 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.156 -1.054 . . . . 63.13 108.156 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -64.93 -38.04 89.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 113.179 0.807 . . . . 73.14 113.179 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.3 p -88.47 -42.46 12.11 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.517 1.673 . . . . 72.14 115.517 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.8 p -125.12 -6.7 7.17 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 117.477 2.399 . . . . 60.11 117.477 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.8 23.8 72.62 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.208 -1.329 . . . . 63.34 115.295 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.78 155.05 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 120.281 2.041 . . . . 71.51 111.355 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.65 123.99 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 106.153 -1.795 . . . . 74.3 106.153 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -99.24 69.28 1.7 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.752 -1.944 . . . . 70.41 105.752 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.76 -61.94 2.35 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 115.916 1.821 . . . . 73.1 115.916 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -65.59 -33.88 43.98 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 CA-C-N 122.734 2.012 . . . . 63.25 112.423 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.47 -39.53 93.72 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.628 1.171 . . . . 71.12 110.073 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 82.4 mt -75.51 -41.88 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 N-CA-C 108.272 -1.01 . . . . 55.24 108.272 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.78 -44.81 96.33 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.31 1.044 . . . . 74.3 112.794 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -65.26 -34.73 79.03 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.632 -0.668 . . . . 73.32 110.886 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.82 -38.38 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.834 -0.802 . . . . 71.34 108.834 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -35.36 76.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.153 0.888 . . . . 74.55 112.294 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -59.87 -41.49 91.62 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.209 -0.663 . . . . 75.42 109.209 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.96 -47.45 86.37 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 117.984 -1.008 . . . . 73.13 109.87 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 t -59.71 -51.35 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 119.795 1.18 . . . . 72.33 110.843 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m -61.2 -48.33 82.01 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.928 0.786 . . . . 64.44 111.387 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 61.7 ttp -58.58 -44.49 89.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 118.212 0.46 . . . . 70.54 110.014 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -66.38 -38.87 88.53 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.056 0.389 . . . . 72.03 110.54 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB1' HD21 ' A' ' 90' ' ' LEU . . . -66.56 -33.0 74.69 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.523 -0.736 . . . . 61.04 109.664 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.88 -64.7 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 107.514 -1.291 . . . . 73.44 107.514 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -153.99 109.23 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.61 1.164 . . . . 54.04 109.589 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -59.36 -59.32 10.87 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.297 -0.721 . . . . 63.5 111.297 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.7 ttm -86.57 62.24 7.29 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.624 1.212 . . . . 71.01 109.695 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -60.26 -23.98 64.55 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.095 2.158 . . . . 72.44 114.861 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -148.21 174.92 11.5 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.981 1.312 . . . . 72.44 107.553 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.86 153.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 O-C-N 119.824 -1.797 . . . . 31.54 108.718 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.8 p -111.61 177.71 4.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 52.31 109.587 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 N-CA-C 107.009 -1.478 . . . . 74.02 107.009 178.764 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 110.741 -0.944 . . . . 72.13 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p 50.88 18.91 0.56 Allowed 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.356 1.613 . . . . 74.4 115.356 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.54 84.18 0.33 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.21 -1.156 . . . . 72.23 110.21 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -83.77 145.62 28.61 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.16 -0.682 . . . . 61.05 109.16 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 p -71.7 -2.34 17.05 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.983 0.913 . . . . 64.42 112.821 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -141.01 174.33 10.62 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 126.24 1.816 . . . . 63.2 109.642 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -134.59 169.23 17.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 127.043 2.137 . . . . 55.52 106.358 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.57 137.93 31.91 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 108.089 -1.078 . . . . 71.54 108.089 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.67 -38.11 96.31 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 124.331 3.354 . . . . 54.24 113.551 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 -3.85 58.88 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.779 -0.575 . . . . 74.15 112.273 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -105.74 -25.14 12.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.969 1.47 . . . . 64.24 114.969 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -134.34 135.66 24.38 Favored Pre-proline 0 N--CA 1.468 0.463 0 CA-C-N 120.524 1.511 . . . . 71.05 108.267 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.79 -24.3 54.5 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.331 2.687 . . . . 51.32 116.585 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -51.93 44.59 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 109.104 -1.598 . . . . 54.44 109.104 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.32 -34.69 76.58 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.06 67.52 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.654 0.782 . . . . 63.13 110.749 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -54.01 -39.5 66.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.925 0.89 . . . . 73.52 111.368 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.52 -29.71 59.56 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.118 0.567 . . . . 72.12 111.529 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -66.67 -44.97 80.39 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.462 -1.31 . . . . 64.31 107.462 177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.26 -46.19 84.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.873 -0.788 . . . . 55.34 108.873 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.21 -52.88 63.55 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.23 -0.414 . . . . 73.41 111.343 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -61.13 -42.66 98.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.176 0.59 . . . . 61.54 111.218 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -61.36 -54.3 45.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.729 -0.607 . . . . 75.33 110.361 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.25 -40.0 92.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 123.901 0.88 . . . . 71.43 112.066 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -50.82 -49.39 58.78 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.688 1.195 . . . . 63.11 111.016 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.08 -45.44 6.28 Favored Glycine 0 CA--C 1.528 0.85 0 O-C-N 123.746 0.654 . . . . 64.33 114.049 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.8 tm? -52.48 -40.47 62.38 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 124.544 1.138 . . . . 73.43 112.919 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.2 p -57.78 -28.85 64.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.628 1.104 . . . . 73.33 112.776 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -91.52 -22.91 20.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.348 0.659 . . . . 60.43 111.965 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.4 mmm -68.08 158.58 83.54 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 118.732 0.696 . . . . 53.31 111.104 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.63 2.99 6.83 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.706 2.271 . . . . 54.34 111.346 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.91 -88.18 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 126.361 1.934 . . . . 63.35 109.387 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.429 ' CD1' HD11 ' A' ' 27' ' ' LEU . 13.9 m-85 -93.56 127.63 39.31 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.725 -1.213 . . . . 73.32 107.725 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.08 159.79 34.07 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.075 -1.083 . . . . 53.42 108.075 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.6 -34.67 26.85 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.878 1.066 . . . . 61.02 113.878 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -64.95 -40.61 95.28 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.118 0.872 . . . . 73.31 111.438 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -70.77 -33.33 70.67 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.064 1.745 . . . . 74.44 110.303 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.88 -23.79 33.33 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.015 0.825 . . . . 53.15 111.695 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.15 -44.58 92.09 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.903 0.481 . . . . 74.24 110.312 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.73 -41.28 79.21 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.307 1.051 . . . . 61.42 108.955 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 -31.51 66.47 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.145 -0.972 . . . . 61.24 110.871 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -40.57 44.36 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.71 2.004 . . . . 73.13 108.593 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.9 m -86.98 -48.58 8.0 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.584 1.553 . . . . 64.51 112.758 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -50.26 -40.79 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 123.719 0.808 . . . . 61.04 110.828 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.45 89.75 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.455 0.702 . . . . 75.24 110.96 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -63.39 -37.22 86.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.152 -1.404 . . . . 75.52 110.082 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -52.51 -42.37 64.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.834 1.197 . . . . 73.41 109.593 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.06 -44.24 96.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 117.958 -1.02 . . . . 73.54 110.886 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.17 -52.34 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.279 0.945 . . . . 74.4 109.638 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -50.5 -44.33 55.96 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.437 1.495 . . . . 75.33 111.388 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -70.95 -37.34 72.81 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.018 -0.426 . . . . 61.42 110.513 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -65.42 -37.94 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.723 -1.235 . . . . 71.43 108.277 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.25 -39.51 86.98 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.282 -1.007 . . . . 63.23 108.282 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -65.24 -43.52 91.1 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.477 -0.934 . . . . 63.11 108.477 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 61' ' ' THR . 2.8 mm? -60.23 -45.21 93.99 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.537 0.608 . . . . 74.45 109.836 178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.87 76.87 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.365 -0.826 . . . . 63.32 109.966 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.55 69.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.75 0.705 . . . . 60.45 111.656 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.0 -23.86 26.67 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 54.03 109.396 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.27 24.87 76.5 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.327 -0.707 . . . . 42.13 111.585 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -155.51 100.55 2.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.768 1.284 . . . . 75.44 110.312 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.603 ' HA ' HD12 ' A' ' 55' ' ' LEU . 12.7 p -81.72 72.61 8.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.835 0.854 . . . . 62.04 109.126 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -52.77 149.33 11.56 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 123.611 0.764 . . . . 70.52 109.748 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -58.87 -60.13 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.876 3.051 . . . . 71.32 113.926 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -61.62 -42.42 98.85 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.965 0.888 . . . . 72.13 110.525 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 55' ' ' LEU . 31.3 ttpt -56.67 -47.56 79.56 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.75 1.22 . . . . 72.15 111.189 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.09 -40.81 62.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.081 1.353 . . . . 63.24 111.273 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -59.25 -34.34 72.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.702 0.683 . . . . 71.52 111.311 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.72 63.53 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 119.195 -0.431 . . . . 73.21 111.278 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -77.15 -44.77 29.09 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 108.237 -1.023 . . . . 61.33 108.237 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.9 -42.95 99.02 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.298 1.039 . . . . 75.23 111.117 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.0 ptp -70.87 -38.87 73.11 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 118.445 -0.788 . . . . 73.44 109.445 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -43.65 81.0 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.212 0.915 . . . . 61.35 110.711 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.2 -49.37 77.91 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.239 0.542 . . . . 72.34 110.229 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 123' ' ' LEU . . . -63.47 -32.13 73.48 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 118.694 -0.67 . . . . 71.52 112.262 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.9 m -60.68 -52.52 64.79 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.171 0.989 . . . . 64.41 108.46 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 m -61.24 -37.79 84.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.501 0.667 . . . . 75.41 109.931 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.47 -40.62 95.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 120.606 -1.308 . . . . 73.12 110.597 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.65 77.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.874 1.27 . . . . 43.52 112.045 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.09 -53.75 53.32 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.999 0.92 . . . . 62.44 109.044 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.17 -26.83 32.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.739 0.815 . . . . 75.12 110.667 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.46 66.68 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.607 -1.308 . . . . 74.11 111.133 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.13 57.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.238 1.015 . . . . 61.52 111.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -61.47 147.13 46.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.896 1.679 . . . . 62.21 108.863 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.51 -1.62 55.37 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.807 -1.183 . . . . 65.51 113.296 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -106.57 30.36 6.1 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.01 1.115 . . . . 72.21 114.01 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.29 -97.22 1.48 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 123.86 0.743 . . . . 70.13 112.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.75 67.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.447 -1.061 . . . . 72.53 110.447 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.04 141.18 3.87 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.729 -1.748 . . . . 35.21 108.729 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.3 p -65.77 168.81 7.25 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.91 0.484 . . . . 71.22 109.73 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -33.09 58.06 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.208 0.603 . . . . 73.45 111.203 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 81.8 p -61.98 -47.03 86.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.222 0.609 . . . . 61.22 110.978 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.4 m -72.26 -43.81 63.76 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.375 1.07 . . . . 60.54 109.171 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -51.84 51.6 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.467 1.107 . . . . 74.42 111.682 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 p -63.8 -46.27 85.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.285 0.493 . . . . 34.11 111.499 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -36.44 72.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.855 1.262 . . . . 61.41 111.596 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.4 t -65.76 -39.34 90.95 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 120.923 -1.111 . . . . 75.35 110.298 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.17 -48.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.195 0.907 . . . . 74.23 109.044 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.54 -37.41 73.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.535 0.607 . . . . 74.11 111.916 -179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.5 m -77.23 -30.46 54.59 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.779 0.263 . . . . 63.21 110.672 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.76 64.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 107.039 -1.467 . . . . 72.33 107.039 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.38 -48.14 74.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 126.974 2.11 . . . . 63.24 110.745 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.9 p -55.78 -41.12 73.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.376 0.534 . . . . 64.02 111.347 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.55 -43.86 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.177 0.591 . . . . 54.32 110.369 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.91 91.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.814 1.245 . . . . 74.14 112.021 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -56.08 -41.44 75.17 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.077 0.853 . . . . 70.4 110.442 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.61 -30.73 71.57 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 117.904 -1.046 . . . . 73.44 111.995 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -70.67 -40.91 72.68 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.307 0.958 . . . . 73.52 108.869 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -57.47 3.85 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.729 1.751 . . . . 52.5 115.729 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.3 p -125.41 -0.01 7.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 116.332 1.975 . . . . 74.32 116.332 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.4 8.36 55.29 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.251 1.387 . . . . 63.31 114.337 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.89 122.19 68.49 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 119.944 1.872 . . . . 72.52 108.333 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.17 119.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 105.47 -2.048 . . . . 54.34 105.47 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -121.94 114.18 20.63 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.267 0.627 . . . . 50.22 109.632 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -49.97 -57.5 12.34 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 125.706 1.602 . . . . 75.42 113.338 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.7 -29.24 43.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 CA-C-N 122.02 1.757 . . . . 52.01 113.573 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -63.61 -50.03 70.99 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.018 -1.105 . . . . 75.01 108.018 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.83 -32.22 55.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 123.842 0.857 . . . . 63.13 109.735 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.62 -20.54 60.56 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.79 -0.569 . . . . 72.34 112.235 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.75 -31.89 72.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.359 -1.463 . . . . 75.32 108.429 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.5 mm -71.33 -40.76 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 126.003 1.721 . . . . 71.13 109.559 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.8 p -58.73 -41.52 86.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 0.871 . . . . 73.44 109.27 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.21 -41.03 83.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.191 -1.385 . . . . 72.44 110.696 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.2 mm? -65.76 -49.76 67.2 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 120.106 1.321 . . . . 75.34 110.045 179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.1 -48.45 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 119.664 1.12 . . . . 73.34 110.491 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -62.29 -51.07 69.16 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.632 -0.507 . . . . 42.24 109.632 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 55.0 ttp -58.85 -40.75 85.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.721 -0.612 . . . . 75.33 111.489 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -72.18 -31.51 65.98 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 118.788 0.722 . . . . 64.24 110.921 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.89 -43.92 67.36 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 121.35 -0.844 . . . . 61.11 109.992 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -74.86 -30.7 61.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.389 0.541 . . . . 72.33 111.8 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.71 93.69 2.55 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.889 1.676 . . . . 70.14 111.564 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -71.07 -57.67 6.11 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.522 -1.031 . . . . 63.23 110.522 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.11 87.27 2.7 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 124.144 0.978 . . . . 73.44 110.03 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.412 ' CG ' ' H ' ' A' ' 134' ' ' ASP . 63.5 t30 -127.02 -167.22 1.7 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.163 1.385 . . . . 73.44 107.887 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.412 ' H ' ' CG ' ' A' ' 133' ' ' ASN . 17.8 t70 -147.34 125.43 12.12 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.86 1.664 . . . . 55.21 107.296 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.01 158.51 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 118.887 0.767 . . . . 74.12 110.208 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 t -156.09 167.44 30.42 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.573 1.949 . . . . 74.23 106.811 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.731 0 C-N-CA 125.086 1.354 . . . . 53.21 107.398 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 110.118 -1.193 . . . . 71.14 110.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.71 173.89 15.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.886 1.274 . . . . 53.22 109.762 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.67 -176.8 38.63 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.363 1.935 . . . . 62.25 109.712 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -64.07 117.45 7.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.809 0.844 . . . . 62.21 109.241 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 p -75.44 -20.67 58.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 61.34 112.762 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -65.57 -54.28 30.17 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.475 0.71 . . . . 71.23 109.647 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 p -63.44 158.38 20.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.115 1.766 . . . . 71.2 113.214 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.06 154.09 94.27 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 125.114 1.366 . . . . 71.44 107.547 177.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.44 -27.63 39.66 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.34 1.36 . . . . 74.55 111.247 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -76.29 -24.31 54.39 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.034 -1.041 . . . . 73.52 110.569 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.1 -13.02 31.44 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 117.071 -1.442 . . . . 51.05 113.65 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.13 131.84 24.04 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 121.412 1.914 . . . . 63.21 108.728 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -30.41 13.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.189 2.592 . . . . 75.21 112.785 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -49.77 50.2 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 109.143 -1.583 . . . . 35.41 109.143 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 tp -68.71 -32.14 71.71 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.902 -0.57 . . . . 73.12 110.56 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.12 -50.22 69.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 118.461 -0.78 . . . . 44.02 110.934 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.79 -48.19 75.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.281 0.491 . . . . 52.33 110.723 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.29 -51.11 70.91 Favored 'General case' 0 CA--C 1.516 -0.35 0 O-C-N 121.996 -0.44 . . . . 64.24 111.296 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -49.97 75.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.655 1.182 . . . . 75.44 111.507 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.08 -46.95 87.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.023 0.929 . . . . 43.32 109.446 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -64.08 -41.59 97.27 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 118.454 0.57 . . . . 74.44 110.439 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -60.42 -34.54 74.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.112 0.565 . . . . 64.32 110.626 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 46.0 t80 -67.89 -54.26 20.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.604 -1.258 . . . . 71.3 107.604 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.28 -48.56 68.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 118.988 0.813 . . . . 61.11 110.198 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -56.05 -33.38 64.94 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.516 1.126 . . . . 70.52 111.668 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 -49.81 4.97 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.191 -1.163 . . . . 52.13 110.191 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -33.72 70.19 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.577 1.951 . . . . 52.31 113.411 -178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.8 p -61.66 -34.03 75.01 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.325 0.966 . . . . 53.42 111.131 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 t -87.44 -7.63 57.44 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 125.866 1.667 . . . . 71.11 111.507 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.1 mmm -96.62 159.53 31.52 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.115 1.366 . . . . 72.0 110.857 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -76.26 -7.73 18.18 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.636 2.224 . . . . 72.02 113.61 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.57 -54.8 32.92 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.266 0.936 . . . . 72.14 112.111 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -123.48 175.07 6.99 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.326 1.85 . . . . 71.55 110.308 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.3 p -128.28 167.49 16.84 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.957 1.703 . . . . 44.15 107.061 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -34.33 69.37 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.274 0.488 . . . . 75.24 111.377 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 t -62.37 -56.3 19.62 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 108.417 -0.957 . . . . 73.3 108.417 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -60.71 -35.23 75.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.231 -0.293 . . . . 72.53 111.363 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -65.54 -24.13 67.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.031 -0.985 . . . . 52.22 113.207 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.03 -39.76 94.82 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 119.008 0.822 . . . . 70.24 110.341 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.99 -47.71 67.79 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.486 -0.931 . . . . 64.02 108.486 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -54.85 -32.33 60.53 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 116.849 -1.548 . . . . 72.54 113.436 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -41.38 98.59 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 121.07 1.759 . . . . 71.21 110.08 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -46.73 88.45 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.366 1.066 . . . . 74.15 109.936 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -63.04 -49.88 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.666 1.587 . . . . 62.03 108.366 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.27 -46.99 82.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.101 0.96 . . . . 74.04 109.031 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -57.96 -41.72 83.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.997 0.919 . . . . 62.1 109.546 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -56.57 -44.2 80.74 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.282 1.033 . . . . 61.01 109.468 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.96 -43.14 88.82 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.447 -0.787 . . . . 63.11 109.596 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.35 -46.22 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.967 1.258 . . . . 73.13 109.968 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.81 -36.28 74.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.946 . . . . 73.13 108.826 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 m -69.36 -46.46 66.94 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.327 0.651 . . . . 32.12 109.4 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.72 -34.04 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.425 1.49 . . . . 74.42 109.669 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.3 -30.02 68.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.421 1.009 . . . . 73.55 112.138 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.0 p -63.21 -48.22 79.22 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 119.933 1.242 . . . . 65.32 108.329 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.0 -34.58 75.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.018 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -27.78 48.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.857 1.263 . . . . 44.43 110.954 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.23 68.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.479 -0.934 . . . . 73.55 108.479 178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -96.12 -22.87 17.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.817 0.847 . . . . 74.31 110.379 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.33 -15.61 1.95 Allowed Glycine 0 CA--C 1.533 1.159 0 C-N-CA 129.538 3.447 . . . . 72.44 114.262 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -83.16 128.6 34.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.787 1.294 . . . . 54.45 108.842 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 m -153.1 107.95 3.18 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.976 1.262 . . . . 42.23 110.731 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.5 m -65.95 157.67 79.23 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.293 1.037 . . . . 71.12 110.245 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.33 -33.18 7.38 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.994 2.463 . . . . 73.31 118.452 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -63.62 -47.37 81.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.714 1.597 . . . . 72.43 110.822 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -67.65 -42.9 81.49 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.088 0.404 . . . . 72.14 110.038 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 69' ' ' LEU . 24.4 tp -56.68 -31.9 64.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.493 1.117 . . . . 72.23 111.047 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.3 -33.11 65.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.815 1.246 . . . . 70.41 111.657 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.18 72.97 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.679 0.672 . . . . 53.33 111.276 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 66' ' ' LEU . 25.4 mt -76.33 -41.45 48.32 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 107.077 -1.453 . . . . 71.34 107.077 178.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -47.15 86.87 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.553 0.741 . . . . 75.11 111.217 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.25 -37.2 80.52 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.443 0.697 . . . . 62.35 109.202 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.03 69.51 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 118.68 0.673 . . . . 73.12 109.805 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -69.7 -34.9 74.55 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.716 -1.24 . . . . 64.12 109.652 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.29 48.87 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.53 0.937 . . . . 70.31 113.53 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -58.65 -49.32 77.97 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 120.306 1.412 . . . . 60.13 113.929 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 t -63.21 -35.11 79.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.88 1.218 . . . . 75.51 109.295 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mp -60.29 -28.9 68.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 117.799 -1.096 . . . . 75.02 111.697 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -72.74 -46.55 52.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 119.527 1.058 . . . . 75.35 109.551 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.9 -54.63 42.73 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.13 0.894 . . . . 70.02 110.568 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mm -61.13 -37.07 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 118.41 0.55 . . . . 61.24 109.633 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 118.396 -0.811 . . . . 64.42 112.917 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.75 52.05 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.668 1.187 . . . . 61.32 111.117 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.5 m -62.53 -13.39 30.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.98 1.312 . . . . 64.41 112.726 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 49.94 55.68 9.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.071 2.149 . . . . 75.22 112.318 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -124.18 6.82 8.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.162 1.385 . . . . 74.15 114.444 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.9 -100.43 2.65 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.685 -2.166 . . . . 63.33 107.685 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.39 155.85 27.44 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.554 -1.018 . . . . 74.32 110.554 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.23 157.73 2.71 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.742 1.163 . . . . 72.02 111.248 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.8 m -63.39 163.47 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.158 -1.053 . . . . 75.24 108.158 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD11 ' HB1' ' A' ' 128' ' ' ALA . 1.8 tt -54.74 -47.86 73.28 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.281 -1.512 . . . . 72.33 110.035 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.3 t -61.72 -27.58 68.81 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.017 1.727 . . . . 75.55 111.698 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 m -78.25 -51.0 10.83 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.565 -1.335 . . . . 75.33 107.477 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.24 -50.03 68.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.305 2.242 . . . . 61.15 111.265 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 p -54.78 -42.51 71.82 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.645 1.178 . . . . 73.25 110.411 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.0 m -69.58 -39.44 77.33 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.594 1.158 . . . . 71.42 111.703 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -46.06 68.35 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.544 1.138 . . . . 73.23 110.8 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.89 -39.93 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.883 1.273 . . . . 44.23 111.128 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.97 -37.09 76.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 120.646 1.567 . . . . 64.24 111.342 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -67.51 -42.68 82.43 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.32 -0.993 . . . . 73.24 108.32 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.19 -36.35 79.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.54 0.336 . . . . 44.04 111.073 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.4 mt -65.92 -42.64 89.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.2 1.0 . . . . 73.44 109.76 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -56.39 -51.03 69.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.675 -1.231 . . . . 71.04 107.675 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -57.52 -45.98 84.34 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.457 1.103 . . . . 54.11 109.975 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . . . -59.33 -36.27 75.38 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.653 -0.655 . . . . 71.2 111.936 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -47.62 69.65 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.527 1.131 . . . . 73.14 108.842 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.86 -33.51 75.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 118.759 -0.639 . . . . 74.55 110.532 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -69.22 -8.64 47.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.883 1.068 . . . . 74.12 113.883 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.3 p -120.66 -37.07 3.06 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 120.444 1.475 . . . . 63.42 112.481 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.4 p -125.25 -5.3 7.25 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.929 1.085 . . . . 64.34 113.929 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.75 6.26 66.52 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-O 118.035 -1.425 . . . . 70.13 113.921 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.89 156.72 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.512 1.525 . . . . 75.12 109.825 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.76 154.92 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.99 1.316 . . . . 61.05 111.566 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.04 95.75 4.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.579 1.551 . . . . 72.33 109.677 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -49.79 -56.38 17.54 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 126.286 1.834 . . . . 71.43 115.581 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -63.71 -31.93 68.76 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.622 1.548 . . . . 74.35 112.777 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -65.61 -52.96 47.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.178 -1.045 . . . . 74.1 108.178 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.3 -27.85 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.129 -0.982 . . . . 71.21 109.907 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -73.28 -41.57 63.47 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 120.959 -1.088 . . . . 34.01 110.805 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.54 -32.99 74.68 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.192 -0.67 . . . . 64.42 109.192 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.76 -35.7 75.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.789 -0.819 . . . . 74.42 108.789 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 98' ' ' ALA . 57.6 p -72.01 -39.58 69.09 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.086 -1.079 . . . . 72.34 108.086 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.21 -34.05 71.7 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 117.69 -1.147 . . . . 60.51 109.836 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.31 -55.56 30.33 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.669 1.577 . . . . 74.54 109.058 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 78' ' ' ALA . 59.2 t -55.63 -47.95 78.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.6 0.636 . . . . 63.02 109.577 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t -60.27 -47.21 86.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 122.83 0.452 . . . . 71.44 112.016 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 53.7 ttp -58.11 -43.3 87.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.568 1.147 . . . . 62.21 109.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -76.09 -42.49 47.12 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 119.851 -0.74 . . . . 74.4 111.38 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' A' ' 90' ' ' LEU . . . -57.81 -46.27 84.94 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.73 0.812 . . . . 72.13 111.687 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -84.37 -62.45 1.55 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.265 0.626 . . . . 71.41 110.53 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.4 13.94 1.46 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.227 1.411 . . . . 32.33 113.359 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.67 -5.92 18.55 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.512 2.006 . . . . 53.4 112.218 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 50.9 tpp -53.39 136.79 36.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.254 1.822 . . . . 73.44 110.575 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -65.02 154.21 38.43 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.639 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -75.92 173.99 10.5 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.439 -1.319 . . . . 74.1 107.439 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.25 -4.37 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 124.849 1.26 . . . . 65.32 110.469 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.1 m -70.88 104.05 2.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.551 1.541 . . . . 41.22 110.83 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 105.336 -2.098 . . . . 61.21 105.336 177.628 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 109.944 -1.262 . . . . 32.33 109.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -77.31 167.56 21.5 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 121.911 -0.758 . . . . 72.22 109.681 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.4 -171.75 31.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.198 -1.961 . . . . 52.43 108.198 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.2 118.58 21.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.135 -1.802 . . . . 71.24 106.135 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -60.59 -32.65 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.403 0.547 . . . . 73.41 110.535 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -115.27 118.09 32.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.537 1.535 . . . . 72.14 108.579 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.0 m -67.63 165.67 16.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 106.395 -1.706 . . . . 75.33 106.395 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 ' HB ' ' HD2' ' A' ' 9' ' ' PRO . 73.3 p -134.35 160.51 68.22 Favored Pre-proline 0 C--O 1.237 0.4 0 O-C-N 120.496 -1.377 . . . . 74.13 111.78 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 77.1 Cg_endo -72.75 4.24 3.73 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.825 2.35 . . . . 75.52 110.809 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -113.34 -20.3 11.41 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 73.53 111.547 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.1 p -90.49 -22.04 21.56 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.413 1.006 . . . . 64.52 112.29 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -124.1 131.41 24.21 Favored Pre-proline 0 N--CA 1.467 0.39 0 CA-C-O 118.261 -0.876 . . . . 71.41 111.307 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -69.33 -29.89 25.18 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.478 2.785 . . . . 65.12 113.571 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.4 -46.64 40.01 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.123 -1.991 . . . . 74.32 108.123 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -36.47 82.55 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 108.644 -0.873 . . . . 73.32 108.644 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.52 77.89 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 124.049 0.94 . . . . 64.32 109.63 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.57 -42.74 97.25 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.386 0.675 . . . . 73.34 109.636 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -59.94 -47.7 84.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 124.352 1.061 . . . . 70.41 108.395 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.58 -54.17 50.09 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 122.832 0.453 . . . . 72.34 110.477 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.38 -44.22 84.27 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.703 0.801 . . . . 71.52 110.396 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -65.04 -52.56 55.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 118.857 0.753 . . . . 71.13 110.593 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -59.74 -47.89 83.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.364 0.529 . . . . 53.13 110.554 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -60.2 -53.29 59.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.925 -0.56 . . . . 73.33 110.607 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.03 -45.68 92.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.588 -0.72 . . . . 71.42 111.955 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -53.84 -47.74 70.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.379 0.672 . . . . 70.53 110.194 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.11 -42.43 29.19 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.052 0.387 . . . . 72.1 112.591 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.57 -36.38 69.26 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.593 1.557 . . . . 71.31 110.806 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.0 t -64.3 -20.48 66.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.138 1.375 . . . . 64.22 112.467 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -106.47 -10.26 16.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.343 1.057 . . . . 72.55 110.649 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.6 mmm -91.24 155.96 44.1 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.212 1.405 . . . . 71.4 110.557 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.38 10.06 0.81 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 124.295 3.33 . . . . 64.24 114.997 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.24 -82.43 0.1 OUTLIER Glycine 0 CA--C 1.521 0.467 0 C-N-CA 124.953 1.263 . . . . 61.13 110.746 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 97' ' ' ILE . 40.1 m-85 -101.97 177.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.598 0.759 . . . . 75.13 110.077 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 p -107.43 158.66 17.0 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 125.633 1.573 . . . . 61.55 107.37 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.85 -43.22 48.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 114.702 1.371 . . . . 65.53 114.702 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -57.45 -50.63 72.4 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.959 1.254 . . . . 70.31 110.517 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.83 -38.39 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.973 0.509 . . . . 71.54 111.28 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.13 -29.02 67.09 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 117.81 -1.09 . . . . 64.53 113.705 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.06 -53.56 19.72 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 119.311 0.96 . . . . 62.15 108.9 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.48 -38.88 75.26 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.493 1.117 . . . . 73.3 110.327 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.58 -30.69 65.48 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.751 1.62 . . . . 74.0 110.88 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.16 -41.85 80.93 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.165 -0.68 . . . . 32.14 109.165 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -64.85 -46.62 81.08 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.863 -1.162 . . . . 74.43 107.863 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -55.3 -44.76 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.263 1.425 . . . . 71.03 108.78 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.21 90.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.529 0.732 . . . . 71.43 111.38 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -60.27 -37.25 79.88 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.026 0.83 . . . . 75.32 110.89 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.6 m -62.33 -29.48 70.48 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.352 -0.842 . . . . 73.11 111.641 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.11 -49.94 21.68 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.113 -0.992 . . . . 65.4 108.954 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.2 t -56.81 -41.94 76.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 118.59 -0.719 . . . . 41.44 109.183 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.44 -34.05 70.4 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.768 0.827 . . . . 74.52 111.905 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -74.28 -53.08 10.45 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 106.811 -1.551 . . . . 74.23 106.811 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.82 -49.94 24.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.264 1.025 . . . . 71.33 111.079 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.19 -42.72 99.54 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 119.32 0.964 . . . . 71.22 111.548 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.2 m -61.46 -33.39 73.66 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.655 0.662 . . . . 74.11 111.106 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.96 -52.8 8.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.151 -1.055 . . . . 64.52 108.151 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.76 -29.33 59.41 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.67 1.588 . . . . 62.44 112.136 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -16.81 52.61 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 125.058 1.343 . . . . 45.11 111.595 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -114.99 2.53 14.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.889 1.276 . . . . 71.54 110.663 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.57 6.83 63.35 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 125.311 1.434 . . . . 21.33 115.345 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -136.23 140.43 43.49 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 120.15 1.975 . . . . 71.12 111.555 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 m -137.23 108.76 6.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 106.062 -1.829 . . . . 75.12 106.062 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 m -53.08 152.55 7.43 Favored Pre-proline 0 CA--C 1.544 0.728 0 N-CA-C 109.491 -0.559 . . . . 63.34 109.491 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.22 -47.28 4.68 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 121.991 1.794 . . . . 75.54 112.367 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -60.27 -43.76 95.91 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.296 -0.631 . . . . 74.44 109.296 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -58.36 -51.12 71.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.39 1.076 . . . . 65.41 110.21 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -59.76 -48.12 82.93 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 123.517 0.727 . . . . 70.11 110.0 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -57.41 -45.45 84.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.457 1.103 . . . . 74.41 110.598 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.2 -24.9 67.48 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.642 0.777 . . . . 65.12 112.65 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.14 -29.64 54.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.172 0.896 . . . . 53.44 109.356 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -65.37 -57.72 7.67 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.676 -1.231 . . . . 72.01 107.676 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.8 ptp -60.0 -28.89 68.09 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 117.722 -1.133 . . . . 72.31 112.477 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.72 68.69 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.615 1.098 . . . . 74.33 110.94 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.11 -50.97 63.37 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.548 0.739 . . . . 73.14 109.708 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.15 98.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 118.898 -0.572 . . . . 64.44 112.009 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -61.74 -44.39 96.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.616 1.098 . . . . 71.33 108.963 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -61.66 -42.18 98.56 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.232 -1.025 . . . . 70.11 108.232 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 97' ' ' ILE . 1.3 mp -59.47 -49.83 76.28 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.127 0.971 . . . . 65.42 110.332 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.93 92.51 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 119.425 1.012 . . . . 72.42 110.759 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.79 -53.95 51.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.289 1.035 . . . . 74.24 109.454 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.13 -30.94 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 109.074 -0.713 . . . . 72.33 109.074 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.65 76.23 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 120.659 -1.275 . . . . 74.42 109.914 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.12 1.2 41.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.542 1.137 . . . . 74.41 110.386 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -67.66 159.65 29.56 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 120.367 1.44 . . . . 73.22 107.152 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -68.09 -41.88 81.2 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.01 -1.107 . . . . 71.32 108.01 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -75.74 80.77 2.69 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.721 1.248 . . . . 71.34 109.992 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -125.56 -134.44 4.12 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 127.998 2.713 . . . . 72.04 106.43 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.36 -95.07 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.395 -1.882 . . . . 62.5 108.395 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.36 -176.89 20.61 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.37 -1.092 . . . . 55.41 110.37 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.64 144.69 25.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.227 -0.572 . . . . 73.45 110.463 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.05 -34.45 71.94 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.412 -1.329 . . . . 74.02 107.412 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -64.42 -50.16 68.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.969 1.308 . . . . 73.11 108.175 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -55.41 -36.27 66.27 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.392 1.077 . . . . 71.31 110.038 178.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -56.24 -55.04 38.1 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.911 -0.774 . . . . 73.22 108.911 179.023 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 97' ' ' ILE 0.308 4.8 t -65.04 -43.04 93.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.582 -0.723 . . . . 63.35 111.123 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.9 m -61.42 -22.07 64.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.14 1.337 . . . . 73.33 111.711 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -83.89 -38.92 20.5 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.184 -0.948 . . . . 72.43 109.413 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 94' ' ' THR . 44.8 mt -56.2 -46.89 81.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 CA-C-O 117.38 -1.295 . . . . 74.42 109.239 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.89 -39.58 71.77 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.101 1.318 . . . . 72.24 110.517 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.1 m -68.79 -33.73 74.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.152 -0.451 . . . . 63.51 110.61 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.15 56.42 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.434 1.016 . . . . 75.25 108.822 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -57.72 -50.83 71.92 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 125.627 1.571 . . . . 74.33 110.864 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.96 -46.73 64.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.523 0.601 . . . . 50.43 110.852 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -66.08 -39.69 90.24 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.911 0.323 . . . . 71.45 110.786 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.08 98.48 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.176 0.99 . . . . 70.41 109.825 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.37 -33.68 74.06 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 119.712 1.142 . . . . 64.32 110.554 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.24 -29.99 71.22 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 120.933 -1.105 . . . . 74.21 110.428 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.14 -2.07 57.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 118.038 -0.982 . . . . 63.32 113.351 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.8 p -99.66 -60.59 1.5 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.918 1.69 . . . . 71.23 110.136 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -126.01 -10.2 6.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.321 1.048 . . . . 73.4 113.017 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.22 78.11 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.283 -0.886 . . . . 52.04 110.988 -178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.92 115.64 46.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 105.454 -2.054 . . . . 70.31 105.454 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.6 109.2 27.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 106.77 -1.567 . . . . 75.42 106.77 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -103.65 114.03 27.99 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 123.716 0.806 . . . . 44.23 109.385 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -51.15 -59.15 8.27 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-O 117.24 -1.362 . . . . 62.21 112.358 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -66.27 -28.31 47.57 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 121.754 1.636 . . . . 53.15 113.207 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -64.29 -38.52 91.32 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.994 0.816 . . . . 64.32 108.996 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.1 mt -76.39 -43.38 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.971 -1.122 . . . . 72.13 107.971 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -61.43 -40.22 93.63 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 113.839 1.051 . . . . 74.32 113.839 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -63.34 -39.62 95.05 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.927 1.239 . . . . 74.53 109.414 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.59 -44.04 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 107.635 -1.246 . . . . 74.45 107.635 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 98' ' ' ALA . 14.4 p -72.72 -35.46 67.57 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.745 1.157 . . . . 54.21 111.111 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -42.81 79.35 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.301 -1.0 . . . . 61.13 108.301 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.4 mt -55.17 -49.61 71.41 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 108.491 -0.929 . . . . 72.11 108.491 178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.37 -43.55 94.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 119.046 0.839 . . . . 74.31 111.711 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -47.8 74.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.534 0.606 . . . . 63.13 109.535 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -62.82 -41.56 99.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.306 1.042 . . . . 71.54 110.984 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.73 -36.25 80.22 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.359 0.981 . . . . 73.13 110.129 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.71 -14.16 62.34 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.05 0.54 . . . . 73.0 111.866 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -106.84 -28.0 10.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.276 1.031 . . . . 64.23 112.096 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 65.92 -0.39 1.35 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 129.049 2.94 . . . . 74.44 114.744 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -121.28 -173.32 14.61 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.607 1.099 . . . . 71.22 112.925 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 82.1 mmm -69.39 106.21 2.86 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 106.286 -1.746 . . . . 55.33 106.286 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -139.92 134.27 31.35 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.955 0.883 . . . . 72.4 110.012 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.92 173.41 6.5 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 129.294 3.038 . . . . 70.23 110.465 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.4 m -129.43 41.16 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 126.456 1.902 . . . . 74.52 107.17 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -56.26 -26.91 53.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.51 1.124 . . . . 72.05 110.653 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.21 1.404 . . . . 73.34 108.793 179.086 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.895 0 N-CA-C 110.509 -1.036 . . . . 54.43 110.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -75.42 166.81 23.02 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 117.901 0.85 . . . . 74.04 110.334 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.25 160.18 27.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.659 -1.376 . . . . 72.2 109.659 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -135.95 -45.58 0.65 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.618 1.167 . . . . 73.05 109.573 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -61.52 -20.66 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.262 0.625 . . . . 65.25 111.507 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 24.0 81.91 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 131.62 3.968 . . . . 74.51 115.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -145.59 169.25 18.78 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.554 1.542 . . . . 63.12 107.938 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -158.62 147.93 14.75 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 125.228 1.411 . . . . 72.43 107.764 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -63.66 -19.84 68.07 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 CA-C-N 120.609 1.253 . . . . 64.21 110.429 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -65.44 -13.17 58.16 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.066 1.347 . . . . 74.45 111.43 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -63.55 -23.73 67.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 119.785 1.175 . . . . 74.23 113.857 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -134.33 136.78 26.52 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 119.285 0.948 . . . . 61.21 109.429 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.15 -38.83 42.63 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.324 2.016 . . . . 73.41 114.476 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.23 86.38 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 119.881 1.219 . . . . 54.44 110.653 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.3 tp -65.96 -43.07 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.247 -1.02 . . . . 75.21 108.247 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.26 78.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.981 -1.118 . . . . 64.11 107.981 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.38 -45.94 69.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.447 1.099 . . . . 75.41 110.596 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -64.87 -47.68 76.98 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.129 0.572 . . . . 71.24 110.807 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.45 -44.37 96.58 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.605 -0.684 . . . . 65.34 111.05 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -43.53 96.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.362 1.465 . . . . 75.23 108.959 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.43 -51.62 69.12 Favored 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 107.674 -1.232 . . . . 73.32 107.674 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -60.93 -33.99 74.01 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.308 -0.377 . . . . 71.34 111.666 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -64.01 -48.98 74.22 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.466 1.03 . . . . 74.42 108.231 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.34 -49.32 78.07 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.354 1.062 . . . . 61.24 110.055 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -56.13 -33.37 65.09 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.75 1.62 . . . . 72.14 112.166 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.11 -49.63 4.92 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.497 -1.441 . . . . 64.35 109.497 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 tp -55.81 -35.99 66.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.736 1.214 . . . . 63.32 113.033 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p -60.06 -29.25 68.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.74 1.155 . . . . 73.41 113.078 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -96.37 -16.85 21.03 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.663 1.985 . . . . 62.45 111.583 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 84.1 mmm -82.83 150.27 61.75 Favored Pre-proline 0 N--CA 1.454 -0.259 0 O-C-N 121.208 -0.932 . . . . 71.35 110.908 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -81.01 54.1 5.09 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.993 3.129 . . . . 72.45 111.649 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.61 -86.71 1.34 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 106.208 -2.757 . . . . 64.42 106.208 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HE1' HD11 ' A' ' 97' ' ' ILE . 5.9 m-85 -100.41 177.28 5.08 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.303 -2.11 . . . . 65.35 105.303 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.9 p -127.99 168.16 15.67 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.21 -1.033 . . . . 75.43 108.21 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.61 -39.42 35.48 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.616 0.969 . . . . 74.24 113.616 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -58.9 -43.34 91.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.655 0.782 . . . . 65.14 110.554 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -75.9 -34.05 59.94 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.939 0.896 . . . . 61.51 110.128 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -26.45 68.32 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.962 -1.087 . . . . 73.12 110.884 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -39.47 92.94 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.161 -0.447 . . . . 64.23 110.143 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.04 -39.84 48.53 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.846 0.748 . . . . 74.41 109.641 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.48 -30.83 67.31 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 118.924 -0.56 . . . . 74.23 110.629 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.49 92.75 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.906 0.775 . . . . 72.14 110.185 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 m -66.84 -43.72 82.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.833 0.853 . . . . 74.31 110.308 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.6 -48.77 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 124.465 1.106 . . . . 73.54 108.248 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.44 73.61 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.328 -0.99 . . . . 72.33 108.328 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -43.45 93.79 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 123.853 0.861 . . . . 75.53 111.867 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.9 m -57.06 -40.26 76.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.899 0.772 . . . . 70.31 109.669 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.51 -38.03 77.42 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.079 -0.962 . . . . 72.33 110.105 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.85 -39.91 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 120.235 1.379 . . . . 74.23 107.655 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -57.7 -40.74 80.2 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.493 -0.928 . . . . 63.1 108.493 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.8 m -67.83 -32.55 73.17 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 120.621 -1.3 . . . . 73.43 112.158 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.2 -52.64 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 106.375 -1.713 . . . . 74.54 106.375 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -60.96 -37.04 80.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.117 0.872 . . . . 55.14 112.622 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -51.96 -57.79 8.41 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.082 0.553 . . . . 72.42 111.628 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.28 -31.68 55.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.893 -0.575 . . . . 74.25 111.277 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.37 -28.86 65.53 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.889 0.768 . . . . 51.22 110.565 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.21 69.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.72 -0.657 . . . . 72.14 111.793 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -115.4 -9.33 12.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.032 0.933 . . . . 75.35 113.095 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.62 6.6 81.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.862 1.22 . . . . 73.03 115.233 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -77.35 24.44 0.19 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.22 2.01 . . . . 71.1 115.449 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 p -65.29 86.17 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 120.289 1.404 . . . . 75.21 112.523 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -70.01 153.49 95.35 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.43 -1.322 . . . . 72.13 107.43 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.41 -42.95 19.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.116 1.877 . . . . 72.23 111.514 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -51.0 -49.23 60.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.969 1.308 . . . . 54.44 112.144 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -77.08 -43.18 35.27 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 118.207 -0.902 . . . . 55.42 111.06 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.79 -43.14 72.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.58 1.082 . . . . 75.53 109.006 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -60.08 -54.75 42.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.173 1.789 . . . . 73.34 107.464 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.58 -22.92 47.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.123 1.157 . . . . 51.35 114.123 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.54 -27.61 67.89 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 120.192 1.36 . . . . 52.35 109.562 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.431 HD21 ' CD1' ' A' ' 120' ' ' ILE . 8.4 t30 -70.36 -32.85 70.72 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.372 1.069 . . . . 72.13 112.224 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.6 mtt -54.82 -49.07 71.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.87 -0.789 . . . . 70.33 108.87 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.2 -53.58 33.67 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.038 -0.506 . . . . 64.34 110.45 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -53.45 -47.79 69.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.7 1.2 . . . . 74.23 111.398 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.74 -23.82 62.51 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.621 -0.674 . . . . 71.21 111.706 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -72.61 -45.23 60.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 106.933 -1.506 . . . . 63.33 106.933 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -38.63 65.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.29 1.036 . . . . 71.14 109.9 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 HD13 ' A' ' 97' ' ' ILE . 5.5 mp -61.42 -55.23 33.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 125.037 1.335 . . . . 74.31 109.786 178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.38 98.73 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.827 1.251 . . . . 74.14 109.736 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -50.26 70.91 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.545 1.138 . . . . 72.4 110.967 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mm -74.23 -36.56 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 121.001 -1.062 . . . . 62.01 109.517 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.75 -33.97 76.83 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.619 -0.675 . . . . 64.42 110.868 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.27 -28.58 42.36 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.617 1.167 . . . . 71.42 110.837 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.4 t -54.29 -56.58 16.99 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.444 1.097 . . . . 53.23 111.718 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -150.92 176.11 11.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.746 0.784 . . . . 73.04 110.079 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -53.95 -42.14 68.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.02 1.728 . . . . 64.4 107.725 178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.24 11.12 6.15 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 117.575 -1.681 . . . . 74.15 115.655 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.95 -5.75 9.61 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.588 1.694 . . . . 70.04 113.586 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.64 -144.15 6.2 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 119.415 1.608 . . . . 14.03 110.905 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -113.96 162.45 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.742 0.817 . . . . 71.31 109.744 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.27 -36.3 52.35 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.693 1.197 . . . . 64.03 110.229 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -59.61 -53.58 56.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 127.216 2.206 . . . . 64.44 110.169 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -51.28 67.8 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.831 1.252 . . . . 63.24 108.81 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -50.99 -55.13 18.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 126.054 1.741 . . . . 72.42 111.431 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 97' ' ' ILE . 18.3 p -60.61 -40.15 90.77 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 123.349 0.66 . . . . 73.32 111.853 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t -64.15 -36.68 84.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.525 0.33 . . . . 73.23 110.139 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.9 m -70.65 -38.3 73.83 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.663 -0.648 . . . . 73.03 110.37 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 94' ' ' THR . 15.3 mt -57.54 -49.02 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 123.851 0.861 . . . . 74.22 109.572 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.16 77.98 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.89 0.314 . . . . 55.35 110.849 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -71.59 -32.1 67.66 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.399 -0.52 . . . . 15.24 110.006 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.93 -34.53 71.59 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.446 -1.409 . . . . 42.13 109.126 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.77 -37.27 76.31 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.887 1.675 . . . . 73.3 110.006 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -58.78 -57.75 11.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.924 1.69 . . . . 70.21 107.323 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.76 -39.24 93.53 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 61.32 110.977 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.93 -38.61 65.09 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.649 0.981 . . . . 71.04 113.649 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.0 53.34 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.212 0.915 . . . . 71.03 110.534 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 72.2 mt -66.87 -37.98 85.46 Favored 'General case' 0 CA--C 1.523 -0.076 0 O-C-N 121.437 -0.789 . . . . 74.21 109.236 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -64.15 -28.23 69.62 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 117.884 -1.055 . . . . 71.42 111.725 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p -91.56 -54.8 3.74 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 120.039 1.291 . . . . 73.11 112.105 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.3 p -124.77 2.57 8.17 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 115.793 1.775 . . . . 75.32 115.793 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.63 12.71 70.65 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.33 -1.481 . . . . 72.32 113.71 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.94 132.61 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 119.465 1.633 . . . . 75.35 106.608 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.4 p -126.49 145.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.621 -1.252 . . . . 52.15 107.621 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -127.74 109.46 11.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.173 0.442 . . . . 62.01 110.997 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -46.21 -56.79 9.8 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 126.353 1.861 . . . . 63.3 114.227 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.5 -31.59 50.81 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.911 2.407 . . . . 71.21 113.238 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.43 -42.2 98.7 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.371 0.668 . . . . 71.22 109.277 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.3 mt -75.79 -40.61 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 123.398 0.679 . . . . 75.35 109.972 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -54.01 -50.09 67.41 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 124.909 1.283 . . . . 63.24 111.435 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.6 -30.45 71.35 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.228 0.825 . . . . 73.55 113.228 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 70' ' ' ASN . 31.0 mm -65.72 -32.87 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.075 -0.713 . . . . 63.21 109.075 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.7 p -67.23 -37.96 84.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.567 0.622 . . . . 63.52 110.759 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.05 -34.44 70.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.692 0.797 . . . . 71.01 111.397 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.41 -53.86 48.7 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.176 0.991 . . . . 73.55 109.885 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.34 -41.21 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 108.809 -0.812 . . . . 64.24 108.809 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -52.19 65.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.652 0.781 . . . . 75.33 109.675 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 38.2 ttp -60.76 -39.81 90.18 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.666 1.586 . . . . 63.23 111.897 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.99 -33.07 59.72 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 118.91 0.777 . . . . 65.01 113.007 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.6 -18.65 65.09 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.733 0.242 . . . . 43.13 110.962 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -79.4 -64.59 1.15 Allowed 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 105.528 -2.026 . . . . 75.33 105.528 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -162.26 132.94 4.9 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.993 2.117 . . . . 73.24 106.3 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.09 53.76 0.42 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 109.3 -1.52 . . . . 41.52 109.3 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 67.3 2.47 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.117 1.367 . . . . 72.35 111.4 -178.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 58.45 14.43 2.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.975 1.71 . . . . 71.53 113.524 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -80.61 164.73 22.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.802 1.241 . . . . 73.2 107.875 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.85 -18.15 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.674 1.19 . . . . 73.31 113.098 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.03 -72.29 0.67 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.439 -2.06 . . . . 61.13 105.439 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.418 0 C-N-CA 128.925 2.89 . . . . 75.15 106.32 179.081 . . . . . . . . 0 0 . 1 stop_ save_